SCHEMBL6013773

SCHEMBL6013773

CCC(=O)c1cc(Br)cc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
PTGS1 P23219 1/20 0.41
DRD3 P35462 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
BRD4 O60885 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
HTT P42858 2/20 0.38
GSK3B P49841 2/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL31536272 0.87 TPMT (0.41) MAPTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL23395827 0.87 MEN1 (0.50) MAPTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL19137597 0.85 GPR139 (0.42) MAPTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL24162333 0.85 MAPT (0.40) MAPTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL15587366 0.85 CES2 (0.41) MAPTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL11382828 0.84 MAPT (0.50) MAPTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL23455654 0.80 RAB9A (0.44) MAPTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL27856961 0.80 NOTUM (0.63) PPARAPPARGGSK3BALDH1A1
SCHEMBL31123489 0.80 RAB9A (0.44) MAPTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL5254952 0.80 GSK3B (0.41) MAPTL3MBTL1KMT2AMEN1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
CN-105473569-A Compound, material for organic electroluminescent element, and electronic device IDEMITSU KOSAN CO 2016-04-06 CN disclosed
CN-100512582-C Light emitting system, light emitting method and chemical substance for light emission HITACHI CHEMICAL CO LTD (JP) 2009-07-08 CN disclosed
EP-1463741-A4 COMPOUNDS TO TREAT HIV INFECTION AND AIDS US GOV HEALTH & HUMAN SERV (US) 2006-07-05 EP disclosed
EP-1463741-A2 COMPOUNDS TO TREAT HIV INFECTION AND AIDS The Government of the United States of America, as represented by the Secretary of the Department of Health and Human Services (US) 2004-10-06 EP disclosed
WO-2003049695-A2 COMPOUNDS TO TREAT HIV INFECTION AND AIDS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTHAND HUMAN SERVICES (US) 2003-06-19 WO disclosed
CN-1037176-C Benzenealkanoic acids for cardiovascular diseases PFIZER RES & DEV (IE) 1998-01-28 CN disclosed
CN-1087080-A The phenyl alkane acids class of treatment cardiovascular disorder PFIZER RES & DEV (IE) 1994-05-25 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 (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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 MAPT 2196/4885SMN1; SMN2 3834/4885L3MBTL1 1503/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MAPT 2196/4885SMN1; SMN2 3834/4885L3MBTL1 1503/4885

“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.