SCHEMBL6466932

SCHEMBL6466932

COC(=O)c1cncc(CCl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
ALDH1A1 P00352 3/20 0.46
CYP2A6 P11509 1/20 0.46
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
LOXL2 Q9Y4K0 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALPL P05186 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
GAA P10253 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL15065826 0.98 ATM (0.57) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL845224 0.86 ATM (0.62) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL6978122 0.84 ATM (0.61) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL2008389 0.84 ATM (0.66) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL14825451 0.83 CYP2C19 (0.64) ATMALDH1A1CYP2C9CYP2C19CYP4F2
SCHEMBL7395211 0.83 ATM (0.59) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL20094653 0.83 ATM (0.59) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL12407009 0.83 ATM (0.59) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL3938261 0.83 ATM (0.59) ATMALDH1A1CYP2A6CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7378238 0.82 CYP2C19 (0.62) ATMALDH1A1CYP2C9CYP2C19CYP4F2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289813-A2 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2023-12-13 EP disclosed
US-20230255963-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2023-08-17 US disclosed
US-11691985-B2 Macrocyclic immunomodulators CHEMOCENTRYX, INC. (US) 2023-07-04 US disclosed
US-11691985-B2 Macrocyclic immunomodulators CHEMOCENTRYX, INC. (US) 2023-07-04 US disclosed
EP-3664793-B1 MACROCYCLIC IMMUNOMODULATORS CHEMOCENTRYX INC (US) 2022-06-29 EP disclosed
US-20220125786-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2022-04-28 US disclosed
US-20220119405-A1 MACROCYCLIC IMMUNOMODULATORS CHEMOCENTRYX, INC. 2022-04-21 US disclosed
US-20210290619-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2021-09-23 US disclosed
US-11059834-B2 Macrocyclic immunomodulators CHEMOCENTRYX, INC. (US) 2021-07-13 US disclosed
EP-3738434-A1 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2020-11-18 EP disclosed
US-20130190315-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-25 US disclosed
US-20130190316-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-25 US disclosed
US-20130190316-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-25 US disclosed
WO-2013102145-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-04 WO disclosed
WO-2013102142-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-04 WO disclosed
EP-2578569-A1 HETEROCYCLIC RING COMPOUND AND H1 RECEPTOR ANTAGONIST ASKA Pharmaceutical Co., Ltd. (JP) 2013-04-10 EP disclosed
US-20130085127-A1 HETEROCYCLIC COMPOUND AND H1 RECEPTOR ANTAGONIST ASKA PHARMACEUTICAL CO., LTD (JP) 2013-04-04 US disclosed
US-20130085127-A1 HETEROCYCLIC COMPOUND AND H1 RECEPTOR ANTAGONIST ASKA PHARMACEUTICAL CO., LTD (JP) 2013-04-04 US disclosed
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11059834-B2 Macrocyclic immunomodulators IL2, IL2RA, C3AR1 ATM 3268/4885ALDH1A1 1925/4885CYP2A6 1133/4885
US-20220119405-A1 MACROCYCLIC IMMUNOMODULATORS IL2, IL2RA, C3AR1 ATM 3268/4885ALDH1A1 1925/4885CYP2A6 1133/4885
US-20130085127-A1 HETEROCYCLIC COMPOUND AND H1 RECEPTOR ANTAGONIST HRH2, HRH4, HRH1 ATM 3898/4885ALDH1A1 2121/4885CYP2A6 1647/4885
US-11691985-B2 Macrocyclic immunomodulators IL2, IL2RA, C3AR1 ATM 3268/4885ALDH1A1 1925/4885CYP2A6 1133/4885
US-20230255963-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ATM 1578/4885ALDH1A1 216/4885CYP2A6 522/4885
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR ATM 2400/4885ALDH1A1 2144/4885CYP2A6 915/4885
US-20220125786-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ATM 1578/4885ALDH1A1 216/4885CYP2A6 522/4885
US-20130190315-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ATM 1578/4885ALDH1A1 216/4885CYP2A6 522/4885
US-20210290619-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ATM 1578/4885ALDH1A1 216/4885CYP2A6 522/4885
US-20130190316-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ATM 2548/4885ALDH1A1 43/4885CYP2A6 232/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.