SCHEMBL186256

SCHEMBL186256

Cn1ncc(C(=O)O)cc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
HCAR2 Q8TDS4 5/20 0.42
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HCAR3 P49019 1/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
DDO Q99489 1/20 0.38
HPGDS O60760 1/20 0.38
ALKBH2 Q6NS38 1/20 0.38
HPGD P15428 1/20 0.37
CHEK1 O14757 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TPMT P51580 1/20 0.35
MAP4K4 O95819 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35

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
SCHEMBL17582560 0.86 PTGS1 (0.46) PTGS1L3MBTL1MEN1KMT2AMKNK1
SCHEMBL24702015 0.79 PTGS1 (0.42) PTGS1L3MBTL1MEN1KMT2A
SCHEMBL4078995 0.79 ATM (0.47) PTGS1L3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL2897778 0.78 KDM4E (0.45) PTGS1L3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL186257 0.72 PTGS1 (0.42) PTGS1ALDH1A1MEN1KMT2ALMNA
SCHEMBL22712426 0.71 SMN1; SMN2 (0.50) PTGS1ALDH1A1KDM4ELMNA
SCHEMBL4044984 0.71 NAMPT (0.50) L3MBTL1HCAR2ALDH1A1KDM4EMEN1
SCHEMBL31292098 0.71 PTGS1 (0.41) PTGS1ALDH1A1KDM4EHPGDMAP4K4
SCHEMBL30421018 0.71 MGAM (0.45) L3MBTL1HCAR2ALDH1A1KDM4EMEN1
SCHEMBL24868115 0.71 MGAM (0.45) L3MBTL1HCAR2ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101506202-A mGluR5 modulators I ASTRAZENECA AB (SE) 2009-08-12 CN claimed
CN-111825654-A Phenylmethylene piperidine derivatives, preparation method, intermediates and uses thereof 北京酷瓴生物技术有限公司 2020-10-27 CN disclosed
WO-2020211836-A1 BENZENE PIPERIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF 北京酷瓴生物技术有限公司 2020-10-22 WO disclosed
WO-2020211836-A1 BENZENE PIPERIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF 北京酷瓴生物技术有限公司 2020-10-22 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
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 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 (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-20070259862-A1 MGluR5 modulators I GRM5, GRM1, GRIK5 PTGS1 940/4885L3MBTL1 4675/4885HCAR2 153/4885
US-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 PTGS1 988/4885L3MBTL1 3608/4885HCAR2 1304/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 PTGS1 988/4885L3MBTL1 3608/4885HCAR2 1304/4885

“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.