SCHEMBL8328355

SCHEMBL8328355

CCc1ncncc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 5/20 0.43
GABRD O14764 5/20 0.43
GABRA1 P14867 5/20 0.43
GABRB1 P18505 5/20 0.43
GABRG2 P18507 5/20 0.43
GABRB3 P28472 5/20 0.43
GABRA5 P31644 5/20 0.43
GABRA3 P34903 5/20 0.43
GABRA2 P47869 5/20 0.43
GABRB2 P47870 5/20 0.43
GABRA4 P48169 5/20 0.43
GABRE P78334 5/20 0.43
GABRA6 Q16445 5/20 0.43
GABRG1 Q8N1C3 5/20 0.43
GABRG3 Q99928 5/20 0.43
GABRQ Q9UN88 5/20 0.43
HCAR2 Q8TDS4 1/20 0.39
KDM6B O15054 3/20 0.36
KDM4C Q9H3R0 3/20 0.36
NPC1 O15118 2/20 0.36

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
SCHEMBL20337746 0.85 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15782804 0.85 SMN1; SMN2 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6859050 0.83 HSP90AB1 (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25171290 0.82 HCAR2 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5206299 0.82 RARB (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8684537 0.81 RXRA (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8682515 0.79 HSP90AA1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL28826788 0.79 HCAR2 (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14831507 0.78 HCAR2 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6646161 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3562306-B1 METALLOENZYME INHIBITOR COMPOUNDS JI XING PHARMACEUTICALS HONG KONG LTD (HK) 2025-02-26 EP disclosed
US-20240343709-A1 SUBSTITUTED HETEROCYCLES AS ALDEHYDE DEHYDROGENASE INHIBITORS THE TRUSTEES OF PRINCETON UNIVERSITY 2024-10-17 US disclosed
US-12054475-B2 Substituted heterocycles as aldehyde dehydrogenase inhibitors KAYOTHERA INC. (US) 2024-08-06 US disclosed
US-20240132469-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KAYOTHERA INC. (US) 2024-04-25 US disclosed
CN-117897370-A Heterocyclic compounds and their use 凯悦施那有限公司 2024-04-16 CN disclosed
US-11919883-B2 Metalloenzyme inhibitor compounds JI XING PHARMACEUTICALS HONG KONG LIMITED (HK) 2024-03-05 US disclosed
EP-4326696-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Kayothera Inc. (US) 2024-02-28 EP disclosed
WO-2022226383-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KAYOTHERA INC. (US) 2022-10-27 WO disclosed
US-20220009907-A1 METALLOENZYME INHIBITOR COMPOUNDS CORXEL PHARMACEUTICALS HONG KONG LIMITED (HK) 2022-01-13 US disclosed
US-20220009907-A1 METALLOENZYME INHIBITOR COMPOUNDS CORXEL PHARMACEUTICALS HONG KONG LIMITED (HK) 2022-01-13 US disclosed
EP-3562306-A2 METALLOENZYME INHIBITOR COMPOUNDS Selenity Therapeutics (Bermuda), Ltd. (BM) 2019-11-06 EP disclosed
WO-2018125799-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS (BERMUDA), LTD. (BM) 2018-07-05 WO disclosed
WO-2018125799-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS (BERMUDA), LTD. (BM) 2018-07-05 WO disclosed
US-20180186773-A1 METALLOENZYME INHIBITOR COMPOUNDS CORXEL PHARMACEUTICALS HONG KONG LIMITED (HK) 2018-07-05 US disclosed
US-20180186773-A1 METALLOENZYME INHIBITOR COMPOUNDS CORXEL PHARMACEUTICALS HONG KONG LIMITED (HK) 2018-07-05 US disclosed
US-20180186773-A1 METALLOENZYME INHIBITOR COMPOUNDS CORXEL PHARMACEUTICALS HONG KONG LIMITED (HK) 2018-07-05 US disclosed
CN-107250110-A The noval chemical compound of (RET) inhibitor is reset as transfection 葛兰素史克知识产权发展有限公司 2017-10-13 CN disclosed
EP-0927169-A1 4-CYCLOALKYL-5-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS CROP PROTECTION AGENTS ZENECA LIMITED (GB) 1999-07-07 EP disclosed
WO-1998011074-A1 4-CYCLOALKYL-5-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS CROP PROTECTION AGENTS ZENECA LIMITED (GB) 1998-03-19 WO disclosed
US-5707930-A HERBICIDES, AGRICULTURE ZENECA LIMITED (GB) 1998-01-13 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 (6 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-20240343709-A1 SUBSTITUTED HETEROCYCLES AS ALDEHYDE DEHYDROGENASE INHIBITORS ALDH3A1, ALDH2, ALDH1A2 GABRP 1859/4885GABRD 1470/4885GABRA1 3055/4885
US-12054475-B2 Substituted heterocycles as aldehyde dehydrogenase inhibitors ALDH3A1, ALDH2, ALDH1A2 GABRP 1859/4885GABRD 1470/4885GABRA1 3055/4885
US-20220009907-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH GABRP 3818/4885GABRD 3589/4885GABRA1 4442/4885
US-20240132469-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, ALDH2, PDK1 GABRP 1534/4885GABRD 1962/4885GABRA1 3136/4885
US-20180186773-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH GABRP 3818/4885GABRD 3589/4885GABRA1 4442/4885
US-11919883-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH GABRP 3818/4885GABRD 3589/4885GABRA1 4442/4885

“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.