SCHEMBL629353

SCHEMBL629353

CC1Cc2cc(Br)c(O)cc2S1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.39
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 1/20 0.37
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
KLK7 P49862 1/20 0.32
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
DRD1 P21728 6/20 0.31
DRD2 P14416 3/20 0.31
DRD5 P21918 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADCY2 Q08462 1/20 0.31

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
SCHEMBL630831 0.71 HTR2A (0.46) HIF1AHTR2AHTR2CHTR2BKDM4E
SCHEMBL13799423 0.70 PNMT (0.43) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL12807492 0.70 KDM4E (0.39) HIF1AKDM4EALDH1A1HPGDSIGMAR1
SCHEMBL8014085 0.67 LMNA (0.41) KDM4EALDH1A1HPGDKLK7LMNA
SCHEMBL629711 0.67 HTR2A (0.50) HTR2AHTR2CKDM1ASLC6A2MAPK1
SCHEMBL7914318 0.64 ACHE (0.42) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL13363873 0.63 BRD4 (0.32) KDM4EALDH1A1HPGDKLK7
SCHEMBL629828 0.63 HTR2A (0.42) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL14501950 0.63 ACHE (0.43) HTR2AHTR2CKDM4EALDH1A1HPGD
SCHEMBL12621066 0.63 KDM4E (0.43) HIF1AHTR2AHTR2CHTR2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 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 (1 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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC HIF1A 3258/4885HTR2A 2446/4885HTR2C 2338/4885

“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.