SCHEMBL3564956

SCHEMBL3564956

O=C(Nc1ccc(Cl)cc1)NC(C(=O)NC1=CCC(=NN2CCCCC2)C=C1)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 4/20 0.34
TP53 P04637 1/20 0.34
CNR1 P21554 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL3562894 0.99 SMN1; SMN2 (0.40) SMN1; SMN2HTTALDH1A1LMNANPC1
SCHEMBL3556133 0.85 FPR2 (0.40) SMN1; SMN2ALDH1A1LMNANPC1KMT2A
SCHEMBL3567171 0.84 HTT (0.42) SMN1; SMN2HTTALDH1A1LMNANPC1
SCHEMBL3560764 0.84 SMN1; SMN2 (0.36) SMN1; SMN2HTTALDH1A1LMNANPC1
SCHEMBL3560271 0.84 CYP1A2 (0.35) SMN1; SMN2HTTLMNAMEN1KMT2A
SCHEMBL3563086 0.84 FPR2 (0.40) SMN1; SMN2HTTALDH1A1MAPTCNR1
SCHEMBL3561031 0.83 CNR2 (0.35) HTTLMNAMEN1KMT2AL3MBTL1
SCHEMBL3566171 0.83 CNR1 (0.34) SMN1; SMN2ALDH1A1RAB9ACNR1HRH3
SCHEMBL3567223 0.83 CNR1 (0.34) SMN1; SMN2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL3566653 0.83 CNR1 (0.36) NPC1RAB9AMEN1KMT2AMAPT

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
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US claimed
US-20060160821-A1 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US claimed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-20060160821-A1 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060160821-A1 Ureas as factor Xa inhibitors TFPI, F12, F11 SMN1; SMN2 4448/4885HTT 2690/4885ALDH1A1 1143/4885

“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.