SCHEMBL630831

SCHEMBL630831

CC1Cc2cc(O)c(Br)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
FYN P06241 4/20 0.44
SIGMAR1 Q99720 2/20 0.37
DRD1 P21728 3/20 0.36
DRD2 P14416 2/20 0.36
HSD17B10 Q99714 2/20 0.35
MAPT P10636 2/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
HIF1A Q16665 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD5 P21918 1/20 0.35
ADCY2 Q08462 1/20 0.35

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
SCHEMBL16233627 0.84 PNMT (0.32) FYN
SCHEMBL14489284 0.84 FYN (0.56) FYNDRD1DRD2HSD17B10MAPT
SCHEMBL29130769 0.76 FYN (0.79) HTR2AHTR2CHTR2BFYNDRD1
SCHEMBL26177017 0.74 KDM1A (0.39) MAPT
SCHEMBL31562457 0.72 KMT2A (0.43) HTR2AHTR2CHTR2BFYNALDH1A1
SCHEMBL629353 0.71 HIF1A (0.39) HTR2AHTR2CHTR2BFYNSIGMAR1
SCHEMBL16233595 0.71 HTR2C (0.55) HTR2AHTR2CHTR2BMAPTALDH1A1
SCHEMBL29913799 0.70 ALDH1A1 (0.48) HTR2AHTR2CHTR2BDRD1DRD2
SCHEMBL6167302 0.70 ALDH1A1 (0.54) HTR2AHTR2CHTR2BDRD1DRD2
SCHEMBL650257 0.70 ALDH1A1 (0.48) HTR2AHTR2CHTR2BDRD1DRD2

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 HTR2A 2446/4885HTR2C 2338/4885HTR2B 2517/4885

“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.