Sugi Predict

Sugi Predict / Compounds / SCHEMBL431955

SCHEMBL431955

SCHEMBL431955

COC(=O)c1cncc(C(C)=O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.67
▸ ALDH1A1 P00352 3/20 0.52
▸ CYP2A6 P11509 1/20 0.50
▸ CYP11B1 P15538 3/20 0.49
▸ CYP11B2 P19099 3/20 0.49
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CA12 O43570 2/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA7 P43166 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ CA14 Q9ULX7 2/20 0.45
▸ MKNK1 Q9BUB5 1/20 0.45
▸ MKNK2 Q9HBH9 1/20 0.45
▸ XDH P47989 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL56951 0.92 ATM (0.77) ATMALDH1A1CYP2A6CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL2298745 0.90 ATM (0.74) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL3500223 0.85 MKNK1 (0.55) ATMALDH1A1CYP11B1CYP11B2CYP2C9
SCHEMBL30067639 0.84 ATM (0.67) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL56952 0.84 ATM (0.67) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL4099107 0.82 ATM (0.65) ATMALDH1A1CYP2A6CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8098340 0.82 ATM (0.65) ATMALDH1A1CYP2A6CYP11B1CYP11B2
Benzene SCHEMBL28318053 0.82 ATM (0.65) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL21366228 0.82 ATM (0.65) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL3715051 0.82 ATM (0.69) ATMALDH1A1CYP2A6CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807628-B2 Benzodiazepine derivatives and uses thereof INTOCELL, INC. (KR) 2023-11-07 — — US disclosed
US-11807628-B2 Benzodiazepine derivatives and uses thereof INTOCELL, INC. (KR) 2023-11-07 — — US disclosed
US-20220162190-A1 BENZODIAZEPINE DERIVATIVES AND USES THEREOF INTOCELL, INC. (KR) 2022-05-26 — — US disclosed
EP-3529247-B1 HETEROCYCLIC FXR MODULATORS HEPAGENE THERAPEUTICS HK LTD (HK) 2021-08-18 — — EP disclosed
US-11084801-B2 Benzodiazepine derivatives and uses thereof INTOCELL, INC. (KR) 2021-08-10 — — US disclosed
WO-2021111185-A1 COMPOSITIONS AND METHODS RELATED TO MOLECULAR CONJUGATION INTOCELL, INC. (KR) 2021-06-10 — — WO disclosed
US-10899723-B2 Heterocyclic containing cyclopropyl FXR modulators Hepagene Therapeutics (HK) Limited (HK) 2021-01-26 — — US disclosed
EP-3529247-A1 HETEROCYCLIC FXR MODULATORS Hepagene Therapeutics, Inc. (VG) 2019-08-28 — — EP disclosed
US-20190248752-A1 HETEROCYCLIC FXR MODULATORS Hepagene Therapeutics (HK) Limited (HK) 2019-08-15 — — US disclosed
US-20190248752-A1 HETEROCYCLIC FXR MODULATORS Hepagene Therapeutics (HK) Limited (HK) 2019-08-15 — — US disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 — — US disclosed
CN-1123545-A Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 1996-05-29 — — CN disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 — — EP disclosed
US-5371097-A Antiulcer agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-12-06 — — US disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 — — WO disclosed
US-5364871-A Antiulcer agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-15 — — US disclosed
EP-0575614-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-12-29 — — EP disclosed
WO-1992016526-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-01 — — WO disclosed
CN-1050191-A New thiazole derivative, they the preparation method and contain their pharmaceutical composition FUJISAWA PHARMACEUTICAL CO (JP) 1991-03-27 — — CN disclosed
EP-0417751-A2 New thiazole derivatives, processes for the preparation thereof and pharmaceutical compositon comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-03-20 — — 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 (5 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-10899723-B2 Heterocyclic containing cyclopropyl FXR modulators NR1H4, FXR1, GPBAR1 ATM 4132/4885ALDH1A1 3299/4885CYP2A6 319/4885
US-11807628-B2 Benzodiazepine derivatives and uses thereof GABRB3, GABRB2, GABRB1 ATM 2176/4885ALDH1A1 900/4885CYP2A6 350/4885
US-20190248752-A1 HETEROCYCLIC FXR MODULATORS NR1H4, FXR1, NR1H2 ATM 3497/4885ALDH1A1 3556/4885CYP2A6 372/4885
US-20220162190-A1 BENZODIAZEPINE DERIVATIVES AND USES THEREOF GABRB3, GABRB2, GABRB1 ATM 2176/4885ALDH1A1 900/4885CYP2A6 350/4885
US-11084801-B2 Benzodiazepine derivatives and uses thereof GABRB3, GABRB2, GABRB1 ATM 2176/4885ALDH1A1 900/4885CYP2A6 350/4885

“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.