SCHEMBL3576233

SCHEMBL3576233

CSc1ccccc1C(C(=O)Nc1ccc(-c2cccc[n+]2[O-])cc1)N(C(N)=O)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
PCTP Q9UKL6 6/20 0.35
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
STARD7 Q9NQZ5 1/20 0.33
STARD10 Q9Y365 1/20 0.33
GAA P10253 3/20 0.32
ATM Q13315 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK14 Q16539 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL3560465 0.89 PCTP (0.34) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL3562244 0.89 PCTP (0.35) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3560098 0.89 PCTP (0.41) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL3560706 0.87 PCTP (0.45) MEN1KMT2ASMN1; SMN2NPC1LMNA
SCHEMBL3557408 0.87 PCTP (0.35) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL3568267 0.87 PCTP (0.35) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL3559162 0.87 PCTP (0.35) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL3566089 0.83 PCTP (0.36) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL3561429 0.83 PCTP (0.36) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL3576235 0.80 MEN1 (0.48) MEN1KMT2AMAPTSMN1; SMN2NPC1

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 MEN1 2311/4885KMT2A 4014/4885MAPT 1933/4885

“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.