SCHEMBL3556129

SCHEMBL3556129

NC(=O)N(c1ccc(Cl)cc1)C(C(=O)NC1C=CC(=NN2CCCC2)C=C1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
UTS2R Q9UKP6 2/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
OPRD1 P41143 1/20 0.31
ALDH1A1 P00352 4/20 0.31
LMNA P02545 1/20 0.31
NTSR1 P30989 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
KCNQ2 O43526 1/20 0.31
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3563083 0.99 CHRM2 (0.34) CHRM2CHRM3UTS2RPOLBMEN1
SCHEMBL3561028 0.88 MAPT (0.32)
SCHEMBL3566651 0.88 IDH1 (0.38) MEN1KMT2ALMNA
SCHEMBL3567221 0.88 NPSR1 (0.30)
SCHEMBL3566170 0.88 NPSR1 (0.32)
SCHEMBL3560270 0.87 IDH1 (0.33)
SCHEMBL3570074 0.86 TP53 (0.34) POLBMEN1KMT2A
SCHEMBL3569297 0.86 CHRM2 (0.31) CHRM2CHRM3UTS2RKMT2AALDH1A1
SCHEMBL3564955 0.85 ALDH1A1 (0.39) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL3565830 0.85 CHRM2 (0.31) CHRM2CHRM3POLBMEN1KMT2A

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 CHRM2 3462/4885CHRM3 3676/4885UTS2R 52/4885

“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.