SCHEMBL7301202

SCHEMBL7301202

COc1ccc2nn[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.53
PDPK1 O15530 1/20 0.45
ALDH1A1 P00352 5/20 0.45
NPC1 O15118 5/20 0.45
HPGD P15428 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 3/20 0.45
TP53 P04637 3/20 0.45
TSHR P16473 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
POLB P06746 4/20 0.44
LMNA P02545 2/20 0.44
NQO2 P16083 1/20 0.44
CYP1A2 P05177 5/20 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
SCHEMBL29561384 1.00 MMP12 (0.53) MMP12PDPK1ALDH1A1NPC1HPGD
SCHEMBL204478 0.85 MEN1 (0.47) MMP12PDPK1ALDH1A1NPC1HPGD
SCHEMBL9321959 0.83 MEN1 (0.46) MMP12PDPK1ALDH1A1NPC1HPGD
SCHEMBL17084655 0.80 ALDH1A1 (0.49) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL9027226 0.79 PDE3B (0.37) MMP12ALDH1A1NPC1HPGDRAB9A
SCHEMBL16178955 0.77 KIF11 (0.45) NPC1RAB9ASMN1; SMN2HSD17B10TP53
SCHEMBL874998 0.75 KDM4E (0.56) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL3231904 0.75 PDE3B (0.37) MMP12ALDH1A1HPGDKDM4EKMT2A
SCHEMBL24024580 0.75 PRKAG1 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8695786 0.75 NR5A1 (0.42) KDM4ETP53TSHRMEN1KMT2A

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
CN-114805462-B Steroid derivative regulator and preparation method and application thereof 江苏豪森药业集团有限公司 2024-06-18 CN disclosed
CN-114656514-B Steroid derivative regulator and preparation method and application thereof 江苏豪森药业集团有限公司 2024-05-14 CN disclosed
CN-114805462-A Steroid derivative regulator and preparation method and application thereof 江苏豪森药业集团有限公司 2022-07-29 CN disclosed
CN-114656514-A Steroid derivative regulator and preparation method and application thereof 江苏豪森药业集团有限公司 2022-06-24 CN disclosed
CN-110709409-B Steroid derivative regulator and preparation method and application thereof 江苏豪森药业集团有限公司 2022-05-31 CN disclosed
US-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-08-25 US disclosed
CN-110709409-A Steroid derivative regulator and preparation method and application thereof 江苏豪森药业集团有限公司 2020-01-17 CN disclosed
EP-3467930-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-04-10 EP disclosed
US-9929348-B2 Organic semiconductor composition comprising organic semiconductor material and polymer compound FUJIFILM CORPORATION (JP) 2018-03-27 US disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US disclosed
EP-2924033-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES Liaoning Emmy Biological Pharmaceutical Co., Ltd (CN) 2015-09-30 EP disclosed
EP-2924032-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF Liaoning Emmy Biological Pharmaceutical Co., Ltd (CN) 2015-09-30 EP disclosed
EP-0794184-B1 6-METHOXY-1H-BENZOTRIAZOLE-5-CARBOXAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2001-05-30 EP disclosed
US-5932568-A GASTROINTESTINAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-08-03 US disclosed
EP-0794184-A1 6-METHOXY-1H-BENZOTRIAZOLE-5-CARBOXAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1997-09-10 EP disclosed
US-5252570-A Amidino and guanidino derivatives B.I. ITALIA (IT) 1993-10-12 US disclosed
US-5047410-A Indolyl derivatives and their use as 5-HT3, receptor antagonists ISTITUTO DE ANGELI S.P.A. (IT) 1991-09-10 US disclosed
EP-0351385-A2 New amidino and guanidino derivatives BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1990-01-17 EP disclosed
US-4536189-A FUEL ADDITIVE FOR GASOHOL TEXACO INC. (US) 1985-08-20 US disclosed
US-4376635-A Novel gasohol or ethanol fuel composition containing as a corrosion inhibitor the reaction product of benzothiazole, formaldehyde and an N-alkyl propylene diamine TEXACO INC. (US) 1983-03-15 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 (2 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-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery BPTF, BRD4, KCNN2 MMP12 2199/4885PDPK1 3148/4885ALDH1A1 3497/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 MMP12 2199/4885PDPK1 3148/4885ALDH1A1 3497/4885

“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.