SCHEMBL3576235

SCHEMBL3576235

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
MAPT P10636 6/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
UTS2R Q9UKP6 1/20 0.38
PCTP Q9UKL6 5/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR1 P21554 3/20 0.35
PKM P14618 1/20 0.35
STARD7 Q9NQZ5 1/20 0.35
STARD10 Q9Y365 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3560468 0.88 LMNA (0.37) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3562246 0.88 CNR1 (0.40) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3560100 0.88 PCTP (0.45) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3560707 0.86 PCTP (0.48) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL3568269 0.86 CNR1 (0.38) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3559165 0.86 CNR1 (0.38) MEN1KMT2AMAPTUTS2RPCTP
SCHEMBL3557410 0.86 UTS2R (0.38) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3566091 0.82 UTS2R (0.41) MEN1KMT2ANPC1SMN1; SMN2LMNA
SCHEMBL3561430 0.81 PCTP (0.38) MEN1KMT2ANPC1SMN1; SMN2LMNA
SCHEMBL3576233 0.80 MEN1 (0.40) MEN1KMT2AMAPTNPC1RAB9A

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 6 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-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.