SCHEMBL3559217

SCHEMBL3559217

Cc1ccccc1C(C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)N(C(N)=O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
F10 P00742 1/20 0.43
PRSS1 P07477 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRNA7 P36544 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
POLB P06746 1/20 0.39
NAMPT P43490 1/20 0.39
RHOA P61586 1/20 0.39

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
SCHEMBL3563838 0.89 ALDH1A1 (0.42) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL3564957 0.89 ALDH1A1 (0.40) ALDH1A1MAPTHPGDSMN1; SMN2F10
SCHEMBL5813906 0.84 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2CNR1RAB9A
SCHEMBL3557869 0.81 EP300 (0.46) ALDH1A1MAPTSMN1; SMN2F10RAB9A
SCHEMBL3568352 0.80 F10 (0.42) ALDH1A1MAPTF10KDM4E
SCHEMBL3564003 0.79 FFAR2 (0.39) ALDH1A1MAPTRAB9ANPC1L3MBTL1
SCHEMBL3559218 0.78 ALDH1A1 (0.54) ALDH1A1MAPTHPGDSMN1; SMN2CNR1
SCHEMBL3574055 0.78 F10 (0.56) F10
SCHEMBL3562244 0.76 PCTP (0.35) ALDH1A1MAPTF10PRSS1CNR1
SCHEMBL3557436 0.75 PPARG (0.38) ALDH1A1MAPTSMN1; SMN2CNR1RAB9A

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 ALDH1A1 1143/4885MAPT 1933/4885HPGD 441/4885

“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.