SCHEMBL3729367

SCHEMBL3729367

Nc1nnc(CCc2ccccc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 1.00
ALDH1A1 P00352 2/20 0.70
HPGD P15428 1/20 0.56
POLB P06746 2/20 0.53
GLS O94925 6/20 0.52
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.49
SRC P12931 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49

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
SCHEMBL10873457 0.89 ATM (0.80) ATMALDH1A1HPGDPOLBGLS
SCHEMBL20266311 0.86 ATM (0.74) ATMALDH1A1HPGDPOLBMEN1
SCHEMBL2644442 0.82 ALDH1A1 (1.00) ATMALDH1A1HPGDPOLBHTT
SCHEMBL26599232 0.81 ATM (0.69) ATMALDH1A1HPGDPOLBGLS
SCHEMBL17967124 0.81 ALDH1A1 (0.72) ATMALDH1A1POLBGLSHTT
SCHEMBL17967711 0.81 ATM (0.69) ATMALDH1A1HPGDPOLBGLS
Hydrogen Sulfide SCHEMBL28084028 0.81 ALDH1A1 (0.96) ATMALDH1A1HPGDPOLBHTT
Hydrochloric Acid SCHEMBL21391938 0.80 ATM (0.67) ATMALDH1A1HPGDPOLBGLS
SCHEMBL11925831 0.80 ATM (0.66) ATMALDH1A1HPGDPOLBGLS
SCHEMBL19793294 0.78 ATM (0.63) ATMALDH1A1HPGDPOLBGLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658072-A4 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2009-03-25 EP claimed
US-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-22 US claimed
US-7253195-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-08-07 US claimed
EP-1658072-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-24 EP claimed
WO-2005020991-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-03-10 WO claimed
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders PFIZER, INC. (US) 2005-02-24 US claimed
WO-2023067515-A1 THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
WO-2023067515-A1 THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
US-10428061-B2 Autotaxin inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-10-01 US disclosed
EP-3253748-B1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECH LTD (GB) 2019-04-17 EP disclosed
CN-105263915-B Glutamine enzyme inhibitor and application method 安吉奥斯医药品有限公司 2019-04-12 CN disclosed
US-20180022742-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-25 US disclosed
US-20180022742-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-25 US disclosed
US-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-22 US disclosed
US-7253195-B2 Compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-08-07 US disclosed
EP-1658072-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-24 EP disclosed
WO-2005020991-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-03-10 WO disclosed
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders PFIZER, INC. (US) 2005-02-24 US disclosed
US-4237136-A IMMUNOSTIMULANTS GRUNENTHAL GMBH (DE) 1980-12-02 US disclosed
US-3919428-A 2-Amino-5-(substituted or unsubstituted phenylalkyl)1,3,4-thiadiazoles for treating anxiety SANDOZ AG 1975-11-11 US 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 (4 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-20180022742-A1 AUTOTAXIN INHIBITORS ENPP2, RNASE1, ATXN10 ATM 3468/4885ALDH1A1 4116/4885HPGD 3090/4885
US-10428061-B2 Autotaxin inhibitors ENPP2, ATXN10, RNASE1 ATM 3535/4885ALDH1A1 4227/4885HPGD 3259/4885
US-20070270426-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, BACE1, PSEN1 ATM 3523/4885ALDH1A1 2945/4885HPGD 2301/4885
US-20050043372-A1 Compounds for the treatment of neurodegenerative disorders APP, BACE1, PSEN1 ATM 3523/4885ALDH1A1 2945/4885HPGD 2301/4885

“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.