SCHEMBL8976521

SCHEMBL8976521

CCc1c(C)noc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.48
BRD2 P25440 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDO2 P48775 1/20 0.46
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
SLC6A9 P48067 1/20 0.42
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
LPAR1 Q92633 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40
PTPN1 P18031 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL11994167 0.86 BRD4 (0.43) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL244016 0.85 BRD4 (0.46) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL2413945 0.85 BRD4 (0.46) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL3075233 0.85 ALDH1A1 (0.48) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL18597812 0.84 CYP1A2 (0.44) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL14789740 0.84 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2KDM4EGAA
SCHEMBL14792983 0.82 ALDH1A1 (0.46) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL3984438 0.82 BRD4 (0.45) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL13197077 0.82 BRD4 (0.43) BRD4BRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL13435 0.82 BRD4 (0.43) BRD4BRD2ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47415-E1 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-06-04 US disclosed
US-RE47267-E1 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-03-05 US disclosed
US-8981106-B2 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2015-03-17 US disclosed
US-20140206647-A1 PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS SYNTRIX BIOSYSTEMS, INC. (US) 2014-07-24 US disclosed
US-20120309977-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES AKEBIA THERAPEUTICS INC. (US) 2012-12-06 US disclosed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US disclosed
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-8106078-B2 Human protein tyrosine phosphatase inhibitors and methods of use WARNER CHILCOTT COMPANY, LLC (US) 2012-01-31 US disclosed
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2011-09-01 US disclosed
US-20110123477-A1 METHOD AND COMPOSITIONS FOR BIOFOULING DETERRENCE NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2011-05-26 US disclosed
US-7795444-B2 Human protein tyrosine phosphatase inhibitors and methods of use Warner Chilcott Company (US) 2010-09-14 US disclosed
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-18 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 US disclosed
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 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 (7 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-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP BRD4 1409/4885BRD2 1723/4885ALDH1A1 3575/4885
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C BRD4 2304/4885BRD2 2300/4885ALDH1A1 4349/4885
US-20140206647-A1 PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS CXCR2, CXCR1, CXCR3 BRD4 293/4885BRD2 291/4885ALDH1A1 2548/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH BRD4 401/4885BRD2 1396/4885ALDH1A1 2986/4885
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS CTSA, SOST, CTSB BRD4 2593/4885BRD2 2392/4885ALDH1A1 4434/4885
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use PTPRCAP, PTPRC, PPP5C BRD4 2304/4885BRD2 2300/4885ALDH1A1 4349/4885
US-20120309977-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES HPD, APEH, ALDH7A1 BRD4 4733/4885BRD2 3217/4885ALDH1A1 36/4885

“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.