SCHEMBL3557262

SCHEMBL3557262

O=C(Nc1ccc(Cl)cc1)NC(C(=O)Nc1ccc(-c2ccncc2)cc1)c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.50
HDAC4 P56524 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ROCK2 O75116 6/20 0.47
ROCK1 Q13464 6/20 0.47
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
BLM P54132 1/20 0.43
MCL1 Q07820 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAMPT P43490 1/20 0.42

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
SCHEMBL3570295 0.86 UTS2R (0.42) CNR1MEN1KMT2AMAPTHTT
SCHEMBL3559165 0.81 CNR1 (0.38) CNR1MEN1KMT2AMAPTHTT
SCHEMBL3569304 0.80 CNR1 (0.52) CNR1MEN1KMT2ALMNAMAPT
SCHEMBL3564018 0.80 F10 (0.43) CNR1MAPT
SCHEMBL3570562 0.78 UTS2R (0.44) CNR1MEN1KMT2ALMNARAB9A
SCHEMBL8264048 0.78 F10 (0.44) CNR1MEN1KMT2ALMNAMAPT
SCHEMBL4518392 0.77 HDAC4 (0.56) HDAC4MEN1KMT2AROCK2ROCK1
SCHEMBL5814026 0.76 HDAC4 (0.44) CNR1HDAC4MEN1KMT2AROCK2
SCHEMBL3557259 0.76 HDAC4 (0.44) CNR1HDAC4MEN1KMT2AROCK2
SCHEMBL6381658 0.76 F10 (0.47) MEN1KMT2ALMNAMAPTRAB9A

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 8 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-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
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
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 CNR1 1500/4885HDAC4 1366/4885MEN1 2311/4885

“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.