SCHEMBL3559162

SCHEMBL3559162

NC(=O)N(c1ccc(Cl)cc1)C(C(=O)Nc1ccc(-c2cccc[n+]2[O-])cc1)c1ccccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCTP Q9UKL6 4/20 0.35
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
F11 P03951 2/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
KLK1 P06870 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
THRB P10828 1/20 0.33
MAPK14 Q16539 1/20 0.32
STARD7 Q9NQZ5 1/20 0.32
STARD10 Q9Y365 1/20 0.32
CNR2 P34972 1/20 0.32
KAT6A Q92794 1/20 0.32

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
SCHEMBL3570181 0.91 MEN1 (0.36) GAAMEN1KMT2AF10PRSS1
SCHEMBL3560098 0.91 PCTP (0.41) PCTPGAAMEN1KMT2AATM
SCHEMBL3557408 0.89 PCTP (0.35) PCTPGAAMEN1KMT2AATM
SCHEMBL3562244 0.89 PCTP (0.35) PCTPGAAMEN1KMT2AATM
SCHEMBL3568267 0.89 PCTP (0.35) PCTPGAAMEN1KMT2AATM
SCHEMBL3570293 0.89 GAA (0.36) GAAMEN1KMT2AATMGPR55
SCHEMBL3560706 0.88 PCTP (0.45) PCTPGAAMEN1KMT2AATM
SCHEMBL3576233 0.87 MEN1 (0.40) PCTPGAAMEN1KMT2AATM
SCHEMBL3560465 0.87 PCTP (0.34) PCTPGAAMEN1KMT2AATM
SCHEMBL3561429 0.87 PCTP (0.36) PCTPGAAMEN1KMT2AATM

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
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO 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 PCTP 1942/4885GAA 495/4885MEN1 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.