SCHEMBL3563416

SCHEMBL3563416

O=C(Nc1ccc(Cl)cc1)NC(C(=O)O)c1ccccc1Br

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.57
CNR1 P21554 8/20 0.52
NPC1 O15118 4/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
CASR P41180 1/20 0.45
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FPR1 P21462 1/20 0.43

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
SCHEMBL3563025 0.86 CNR1 (0.55) FPR2CNR1NPC1MAPTSMN1; SMN2
SCHEMBL3569304 0.84 CNR1 (0.52) FPR2CNR1NPC1MAPTSMN1; SMN2
SCHEMBL3557437 0.84 CNR1 (0.52) FPR2CNR1NPC1MAPTSMN1; SMN2
SCHEMBL3564247 0.84 CNR1 (0.52) FPR2CNR1NPC1MAPTSMN1; SMN2
SCHEMBL3566192 0.82 ATM (0.54) FPR2CNR1NPC1MAPTSMN1; SMN2
SCHEMBL6373252 0.81 FPR2 (0.73) FPR2CNR1NPC1MAPTSMN1; SMN2
SCHEMBL3568468 0.81 FPR2 (0.73) FPR2CNR1NPC1MAPTSMN1; SMN2
SCHEMBL5632770 0.81 FPR2 (0.73) FPR2CNR1NPC1MAPTSMN1; SMN2
SCHEMBL3568226 0.80 CNR1 (0.46) FPR2CNR1NPC1MAPTSMN1; SMN2
SCHEMBL3573001 0.80 UTS2R (0.49) FPR2CNR1NPC1MAPTSMN1; SMN2

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 3 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 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 2332/4885CNR1 1500/4885NPC1 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.