SCHEMBL1424932

SCHEMBL1424932

CCc1cc(C(=O)O)cc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.39
DAO P14920 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HCAR1 Q9BXC0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
NOS3 P29474 1/20 0.37

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
Hydrochloric Acid SCHEMBL1424794 0.98 SMN1; SMN2 (0.42) TPMTNPC1RAB9AMEN1KMT2A
SCHEMBL1424790 0.88 ALOX15 (0.48) TPMTNPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL1425679 0.86 ALOX15 (0.46) TPMTNPC1RAB9AMEN1KMT2A
SCHEMBL1425333 0.85 KDM4E (0.46) TPMTNPC1RAB9AALOX15TSHR
SCHEMBL20888502 0.85 NPC1 (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1425060 0.85 TPMT (0.48) TPMTNPC1RAB9AKMT2AALOX15
Hydrochloric Acid SCHEMBL1425383 0.84 KDM4E (0.45) TPMTNPC1RAB9AALOX15TSHR
Hydrochloric Acid SCHEMBL1425309 0.83 TPMT (0.47) TPMTNPC1RAB9AKMT2AALOX15
SCHEMBL1424792 0.83 NOS3 (0.36) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1425022 0.83 HTT (0.43) MEN1KMT2ATSHRHTTNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922137-B1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ADSORBED ELECTRODE, AND METHOD FOR MANUFACTURING DYE-SENSITIZED SOLAR CELL FUJIFILM CORP (JP) 2019-04-03 EP disclosed
US-20180186741-A1 A GENERAL PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED OR 5,6-DISUBSTITUTED DERIVATIVES OF 2-AMINO-ISONICOTINIC ACID BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-07-05 US disclosed
US-8697732-B2 Pyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-04-15 US disclosed
US-8598208-B2 Pyridine derivatives as S1P1/EDG1 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-03 US disclosed
US-8580824-B2 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
US-8580824-B2 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
US-8367714-B2 Cannabinoid receptor targeted agent VANDERBILT UNIVERSITY (US) 2013-02-05 US disclosed
EP-2069336-B1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
US-8323621-B2 site-directed delivery of contrast agent; brain or breast cancer; 1,4,7,10 tetraazacyclododecane having variable chelating ions, phosphoester chains, and light harvesting moieties for changing imaging methods; conjugated to high affinity PBR ligand PK11195; bound to a PVA or a PEG delivery vehicle VANDERBILT UNIVERSITY (US) 2012-12-04 US disclosed
US-20120195930-A1 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-02 US disclosed
WO-2009024905-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-26 WO disclosed
US-20090005421-A1 Novel Pyridine Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2009-01-01 US disclosed
EP-1979345-A2 NOVEL PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-10-15 EP disclosed
WO-2008029371-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
US-7338651-B2 Multi-use multimodal imaging chelates TEXAS TECH UNIVERSITY SYSTEM (US) 2008-03-04 US disclosed
WO-2007086001-A2 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-08-02 WO disclosed
US-20070043081-A1 Novel pyridine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-22 US disclosed
CN-1856305-A Pyridine derivatives and their use as urotensin II antagonists ACTELION PHARMACEUTICALS LTD (CH) 2006-11-01 CN disclosed
EP-1670470-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-06-21 EP disclosed
WO-2005030209-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-04-07 WO 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 (4 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-20090005421-A1 Novel Pyridine Derivatives NFATC1, TPMT, CD47 TPMT 2/4885NPC1 3600/4885RAB9A 1719/4885
US-20180186741-A1 A GENERAL PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED OR 5,6-DISUBSTITUTED DERIVATIVES OF 2-AMINO-ISONICOTINIC ACID IMPDH2, IMPDH1, GFPT1 TPMT 49/4885NPC1 3058/4885RAB9A 3354/4885
US-20070043081-A1 Novel pyridine derivatives P2RY4, P2RX6, P2RX4 TPMT 842/4885NPC1 2252/4885RAB9A 2354/4885
US-20120195930-A1 NOVEL PYRIDINE DERIVATIVES NFATC1, TPMT, CD47 TPMT 2/4885NPC1 3600/4885RAB9A 1719/4885

“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.