SCHEMBL3675907

SCHEMBL3675907

CCCCCn1c(O)nc2ncc(Cl)c(C#N)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 5/20 0.37
SAE1 Q9UBE0 5/20 0.37
UBA2 Q9UBT2 5/20 0.37
CASP1 P29466 5/20 0.37
HSD17B10 Q99714 5/20 0.37
CASP7 P55210 4/20 0.37
MAPT P10636 4/20 0.37
GAA P10253 2/20 0.37
POLB P06746 2/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 6/20 0.34
MEN1 O00255 5/20 0.34
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NSD2 O96028 2/20 0.34
TP53 P04637 2/20 0.34

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
SCHEMBL3670224 0.83 HSD17B10 (0.36) HPGDALDH1A1KDM4ESAE1UBA2
SCHEMBL3668665 0.83 TLR8 (0.34) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL3670329 0.82 TLR8 (0.34) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL2298559 0.81 AR (0.36) HPGDALDH1A1KDM4EHSD17B10MAPT
SCHEMBL3667597 0.81 TLR8 (0.33) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL2295974 0.80 KDM4E (0.42) HPGDALDH1A1KDM4ESAE1UBA2
SCHEMBL3676625 0.80 TLR8 (0.32) TLR8
SCHEMBL4114788 0.80 CASP1 (0.34) HPGDALDH1A1KDM4ESAE1UBA2
SCHEMBL3665406 0.79 MTNR1A (0.38) HPGDALDH1A1KDM4EGAAPOLB
SCHEMBL2299657 0.79 USP7 (0.39) HPGDALDH1A1CASP1HSD17B10CASP7

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 4 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

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 HPGD 3712/4885ALDH1A1 4750/4885KDM4E 4360/4885

“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.