SCHEMBL836902

SCHEMBL836902

COc1c(Br)cc(C=O)c2c1CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PRKDC P78527 1/20 0.43
MCL1 Q07820 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CA2 P00918 2/20 0.36
CA4 P22748 1/20 0.36
ERN1 O75460 2/20 0.36
HTR2A P28223 4/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TNFRSF1A P19438 1/20 0.35
CA1 P00915 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TTR P02766 1/20 0.33
INSR P06213 1/20 0.33
IGF1R P08069 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL834457 0.83 MEN1 (0.50) MEN1KMT2APRKDCMCL1ALDH1A1
SCHEMBL11624509 0.81 MEN1 (0.49) MEN1KMT2APRKDCALDH1A1ERN1
SCHEMBL835754 0.80 MEN1 (0.48) MEN1KMT2AMCL1ALDH1A1CA2
SCHEMBL22297587 0.79 MEN1 (0.39) MEN1KMT2APRKDCMCL1ALDH1A1
SCHEMBL22297651 0.77 PRKDC (0.35) MEN1KMT2APRKDCALDH1A1ERN1
SCHEMBL6168776 0.77 ALDH1A1 (0.51) MEN1KMT2AALDH1A1CA2CA4
SCHEMBL22297817 0.77 LMNA (0.37) MEN1KMT2APRKDCALDH1A1ERN1
SCHEMBL20741977 0.75 PRKDC (0.39) MEN1KMT2APRKDCALDH1A1CA2
SCHEMBL11629474 0.75 LMNA (0.46) MEN1KMT2APRKDCALDH1A1ERN1
SCHEMBL21367478 0.75 KMT2A (0.44) MEN1KMT2AMCL1ALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378118-B2 Pyrazole-based thyroid receptor compounds TORRENT PHARMACEUTICALS LTD. (IN) 2013-02-19 US disclosed
US-20120202816-A1 NOVEL COMPOUNDS TORRENT PHARMACEUTICALS, LTD. (IN) 2012-08-09 US disclosed
US-8143424-B2 Thyroid like compounds TORRENT PHARMACEUTICALS LTD. (IN) 2012-03-27 US disclosed
EP-2061766-B1 NOVEL COMPOUNDS TORRENT PHARMACEUTICALS LTD (IN) 2010-08-18 EP disclosed
US-20100168110-A1 Novel Compounds TORRENT PHARMACEUTICALS LTD. (IN) 2010-07-01 US disclosed
EP-2061766-A2 NOVEL COMPOUNDS Torrent Pharmaceuticals Ltd (IN) 2009-05-27 EP disclosed
WO-2008149379-A2 NOVEL COMPOUNDS TORRENT PHARMACEUTICALS LTD. (IN) 2008-12-11 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 (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-20120202816-A1 NOVEL COMPOUNDS TSHR, THRB, GPR119 MEN1 541/4885KMT2A 3000/4885PRKDC 4708/4885
US-20100168110-A1 Novel Compounds TSHR, THRB, GPR119 MEN1 541/4885KMT2A 3000/4885PRKDC 4708/4885

“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.