SCHEMBL3560666

SCHEMBL3560666

O=C(Nc1ccc(Br)cc1)NC(C(=O)NC1=CCC(=NN2CCCCC2)C=C1)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 9/20 0.40
RAB9A P51151 5/20 0.39
NPC1 O15118 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
FPR1 P21462 1/20 0.33
TNIK Q9UKE5 1/20 0.33
CNR1 P21554 2/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 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
SCHEMBL3566120 0.99 FPR2 (0.41) FPR2RAB9ANPC1MEN1MAPT
SCHEMBL3560271 0.92 CYP1A2 (0.35) FPR2MEN1MAPTHTTKMT2A
SCHEMBL3561031 0.91 CNR2 (0.35) FPR2MEN1MAPTHTTKMT2A
SCHEMBL5810278 0.85 FPR2 (0.39) FPR2RAB9ANPC1MEN1MAPT
SCHEMBL3570284 0.84 FPR2 (0.43) FPR2RAB9ANPC1MEN1MAPT
SCHEMBL3567223 0.84 CNR1 (0.34) FPR2RAB9AMEN1MAPTKMT2A
SCHEMBL3560764 0.82 SMN1; SMN2 (0.36) FPR2RAB9ANPC1MEN1MAPT
SCHEMBL5800502 0.81 FPR2 (0.41) FPR2RAB9ANPC1MEN1MAPT
SCHEMBL5803484 0.81 FPR2 (0.41) FPR2RAB9ANPC1MEN1MAPT
SCHEMBL3566171 0.80 CNR1 (0.34) RAB9ASMN1; SMN2ALDH1A1CNR1

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
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
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO 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 FPR2 2332/4885RAB9A 2958/4885NPC1 1325/4885

“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.