SCHEMBL3916979

SCHEMBL3916979

COC(=O)c1ccc(C(S)c2ccccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
KDM4E B2RXH2 5/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.46
CYP3A4 P08684 2/20 0.45
ABCB11 O95342 1/20 0.45
LMNA P02545 1/20 0.45
ESR1 P03372 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2C9 P11712 1/20 0.45
PDE4A P27815 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRK1 P41145 1/20 0.45
STAT6 P42226 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL13600083 0.84 MAPT (0.52) MAPTKDM4EPOLBPKMRAB9A
SCHEMBL30041537 0.84 MAPT (0.52) MAPTKDM4EPOLBPKMRAB9A
SCHEMBL23535674 0.84 MAPT (0.52) MAPTKDM4EPOLBPKMRAB9A
SCHEMBL1749736 0.82 SLC6A3 (0.44) KDM4EPOLBTSHRCYP3A4ABCB11
SCHEMBL6653937 0.79 CA1 (0.57) MAPTKDM4ERAB9ATSHRALDH1A1
SCHEMBL3919432 0.77 CA1 (0.47) MAPTKDM4ERAB9ASMN1; SMN2TSHR
SCHEMBL3647221 0.76 MAPT (0.57) MAPTKDM4EPOLBPKMRAB9A
SCHEMBL14962071 0.74 SLC6A2 (0.63) KDM4ERAB9ATSHRCYP3A4LMNA
SCHEMBL8531240 0.74 ALOX15 (0.50) MAPTKDM4EPOLBPKMRAB9A
SCHEMBL3560642 0.74 HDAC1 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102964294-A Pyridyl inhibitors of hedgehog signalling GENENTECH INC 2013-03-13 CN disclosed
CN-102083822-A Pyridyl inhibitors of HEDGEHOG signalling GENENTECH INC 2011-06-01 CN disclosed
US-7495022-B2 α,β-unsaturated hydroxamic acid derivatives and their use as histone deacetylase inhibitors SK CHEMICALS CO., LTD. (KR) 2009-02-24 US disclosed
CN-101072755-A Pyridyl inhibitors of Hedgehog signaling GENENTECH INC (US) 2007-11-14 CN disclosed
US-20050124679-A1 Alpha, beta-unsaturated hydroxamic acid derivatives and their use as histone deacetylase inhibitors SK CHEMICALS CO., LTD. (KR) 2005-06-09 US disclosed
WO-2003087066-A1 α,β-UNSATURATED HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS SK CHEMICALS, CO., LTD. (KR) 2003-10-23 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-20050124679-A1 Alpha, beta-unsaturated hydroxamic acid derivatives and their use as histone deacetylase inhibitors HDAC1, HDAC5, HDAC9 MAPT 4083/4885KDM4E 1744/4885POLB 589/4885

“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.