SCHEMBL4386929

SCHEMBL4386929

CNCCc1c(Br)c(O)cc(O)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GMNN O75496 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL4386103 0.85 PDE4B (0.36) MAPTMAPK1HTR2AHRH1KDM4E
SCHEMBL4386433 0.81 BACE1 (0.39) HSD17B10ALDH1A1HPGDPDE4BPDE4A
SCHEMBL4388252 0.81 ADRB2 (0.42) ALOX15KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4392259 0.79 HTR2A (0.41) TAAR1HTR2AHRH1SLC6A4
SCHEMBL4381978 0.79 PDE4B (0.40) TP53TSHRPDE4BPDE4APDE4C
SCHEMBL4391995 0.79 BACE1 (0.37) TSHRHSD17B10KDM4EALDH1A1LMNA
SCHEMBL4394868 0.78 TYR (0.39) MAPTHTR2AHRH1KDM4EALDH1A1
SCHEMBL4392012 0.78 MAPT (0.44) MAPTKDM4EALDH1A1LMNAGFER
SCHEMBL4388905 0.78 HPGD (0.37) ATMMAPTMAPK1KDM4EALDH1A1
SCHEMBL4383736 0.78 PTPN1 (0.43) TSHRHSD17B10KDM4EALDH1A1PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P TAAR1 1752/4885ATM 3555/4885MAPT 2443/4885

“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.