SCHEMBL186537

SCHEMBL186537

CNc1cncc(C(=O)O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.46
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 2/20 0.43
HCAR3 P49019 1/20 0.43
HCAR2 Q8TDS4 2/20 0.41
NAPRT Q6XQN6 1/20 0.41
LMNA P02545 1/20 0.41
PDPK1 O15530 1/20 0.40
KDM4C Q9H3R0 1/20 0.38
GRM5 P41594 2/20 0.36
ALOX15 P16050 3/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 2/20 0.35
ACMSD Q8TDX5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACHE P22303 1/20 0.35
HIF1A Q16665 1/20 0.34
NNMT P40261 1/20 0.34
FYN P06241 1/20 0.34

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
SCHEMBL22792229 0.82 CTSA (0.48) CTSAKDM4EALDH1A1HCAR3PDPK1
SCHEMBL69399 0.78 KDM4E (0.55) KDM4EALDH1A1HCAR2NAPRTLMNA
SCHEMBL8065855 0.75 FYN (0.43) CTSAKDM4EALDH1A1HCAR3PDPK1
SCHEMBL6270179 0.74 BAZ2B (0.42) CTSAPDPK1NNMTFYN
SCHEMBL287705 0.72 GRM5 (0.46) KDM4EALDH1A1HCAR2NAPRTGRM5
SCHEMBL20929039 0.72 KDM4E (0.45) KDM4EALDH1A1HCAR2NAPRTLMNA
SCHEMBL30951916 0.72 KDM4E (0.68) KDM4EHCAR3NAPRTLMNAGRM5
SCHEMBL27881336 0.72 KDM4E (0.49) KDM4EALDH1A1HCAR2NAPRTALOX15
SCHEMBL3117402 0.72 KDM4E (0.68) KDM4EHCAR3NAPRTLMNAGRM5
SCHEMBL186538 0.72 HCAR3 (0.36) CTSAKDM4EALDH1A1HCAR3HCAR2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021118485-A1 A PRODUCTION METHOD OF BIOACTIVE SUBSTANCE THYMOKINONE BY USING AY-YLDIZ CATALYST WHITH USE POTENTIAL IN CANCER TREATMENT CUKUROVA UNIVERSITESI REKTORLUGU (TR) 2021-06-17 WO claimed
EP-4617265-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF Prime Gene Therapeutics Co., Ltd. (CN) 2025-09-17 EP disclosed
CN-120202197-A Nitrogen-containing spiro compound, pharmaceutical composition and application thereof 北京普祺医药科技股份有限公司 2025-06-24 CN disclosed
WO-2024099404-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京普祺医药科技股份有限公司 2024-05-16 WO disclosed
US-11807621-B2 Compounds and compositions for use in treating skin disorders KAMARI PHARMA LTD. (IL) 2023-11-07 US disclosed
WO-2021118485-A1 A PRODUCTION METHOD OF BIOACTIVE SUBSTANCE THYMOKINONE BY USING AY-YLDIZ CATALYST WHITH USE POTENTIAL IN CANCER TREATMENT CUKUROVA UNIVERSITESI REKTORLUGU (TR) 2021-06-17 WO disclosed
CN-102414177-B Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT 2014-07-02 CN disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
CN-102414177-A Compounds as bradykinin b1 antagonists BOEHRINGER INGELHEIM INT 2012-04-11 CN disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
CN-1296346-C Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical SANOFI AVENTIS DEUTSCHLAND (DE) 2007-01-24 CN disclosed
US-6759412-B2 FOR PRODUCING DRUGS USED FOR THERAPY OF CARDIOVASCULAR DISEASES, STABLE OR UNSTABLE ANGINA PECTORIS, CORONARY HEART DISEASE, PRINZMETAL ANGINA, ACUTE CORONARY SYNDROME, HEART FAILURE, MYOCARDIAL INFARCTION, STROKE, THROMBOSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-06 US disclosed
CN-1491208-A Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical ������ҽҩ�¹����޹�˾ 2004-04-21 CN 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 (3 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CTSA 1724/4885KDM4E 4133/4885ALDH1A1 1000/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CTSA 1724/4885KDM4E 4133/4885ALDH1A1 1000/4885
US-11807621-B2 Compounds and compositions for use in treating skin disorders RDX, HAX1, F12 CTSA 1851/4885KDM4E 1470/4885ALDH1A1 629/4885

“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.