SCHEMBL3567712

SCHEMBL3567712

CN(C)Cc1ccccc1-c1ccc(NC(=O)C(c2ccccc2F)N(C(N)=O)c2ccc(Br)cc2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 2/20 0.44
KCNH2 Q12809 1/20 0.44
F10 P00742 9/20 0.41
F2 P00734 2/20 0.41
KLK1 P06870 1/20 0.41
F5 P12259 1/20 0.40
CTRB1 P17538 1/20 0.40
THRB P10828 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KIF11 P52732 1/20 0.36
C5AR1 P21730 2/20 0.35
PRSS1 P07477 1/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL3569907 0.93 F10 (0.47) P2RY1KCNH2F10F2KLK1
SCHEMBL3570559 0.81 F10 (0.41) P2RY1KCNH2F10F2KLK1
SCHEMBL3567714 0.79 P2RY1 (0.46) P2RY1KCNH2F10F2KLK1
SCHEMBL3559106 0.72 F10 (0.43) F10F2KLK1ALDH1A1NPC1
SCHEMBL3569909 0.72 F10 (0.48) P2RY1KCNH2F10F2KLK1
SCHEMBL3564154 0.71 F10 (0.50) KCNH2F10F2F5CTRB1
SCHEMBL3562252 0.70 GAA (0.40) NPC1RAB9ASMN1; SMN2
SCHEMBL3570181 0.69 MEN1 (0.36) F10THRBALDH1A1PRSS1NPC1
SCHEMBL3572068 0.69 F10 (0.37) F10THRBALDH1A1NPC1LMNA
SCHEMBL3570280 0.66 MEN1 (0.32)

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
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

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 P2RY1 1550/4885KCNH2 2754/4885F10 9/4885

“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.