SCHEMBL3667745

SCHEMBL3667745

OC[C@@H](c1ccccc1)n1c(O)nc2ncc(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
USP1 O94782 1/20 0.36
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KDM4A O75164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADA P00813 1/20 0.34
PHGDH O43175 2/20 0.33
PRCP P42785 1/20 0.32
GUSB P08236 2/20 0.32
HDAC8 Q9BY41 1/20 0.31
SRC P12931 2/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
PPARG P37231 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
SCHEMBL3666716 1.00 BRD4 (0.40) BRD4USP1HTTNPSR1KDM4E
SCHEMBL3672010 0.89 PPARG (0.36) BRD4HTTNPSR1KDM4EKDM4A
SCHEMBL3668127 0.88 CYP19A1 (0.35) HTTKDM4EALDH1A1L3MBTL1
SCHEMBL3666355 0.84 ALDH1A1 (0.33) HTTNPSR1KDM4EKDM4AALDH1A1
SCHEMBL3675313 0.82 MEN1 (0.40) BRD4USP1NPSR1KDM4EALDH1A1
SCHEMBL3669088 0.82 MEN1 (0.40) BRD4USP1NPSR1KDM4EALDH1A1
SCHEMBL3672734 0.78 HRH4 (0.33) HTTHPGDTSHRHSD17B10GUSB
SCHEMBL13007631 0.75 HRH4 (0.32) HTTALDH1A1HPGDTSHRHSD17B10
SCHEMBL3780821 0.75 HRH4 (0.32) HTTALDH1A1HPGDTSHRHSD17B10
SCHEMBL3674290 0.75 SRC (0.37) HTTNPSR1KDM4EKDM4AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US claimed
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 EP claimed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 WO claimed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US claimed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US 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-20080242695-A1 Certain Chemical Entities, Compositions, and Methods TNNC1, TNNI3, TNNT2 BRD4 4166/4885USP1 2921/4885HTT 1382/4885

“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.