SCHEMBL4446736

SCHEMBL4446736

O=C(Nc1ccc(Br)cc1)N1CCCN1C(=O)Nc1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
F10 P00742 7/20 0.47
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.43
CASP3 P42574 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
FAAH O00519 1/20 0.40
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL4447303 0.88 F10 (0.56) F10KDM4E
SCHEMBL4449746 0.85 F10 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2F10
SCHEMBL4442834 0.85 F10 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2F10
SCHEMBL4442832 0.85 F10 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2F10
SCHEMBL4450073 0.84 F10 (0.41) F10MAOB
SCHEMBL29348735 0.76 F10 (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2F10
SCHEMBL4444789 0.75 F10 (0.45) SMN1; SMN2F10KMT2AHTT
SCHEMBL4449707 0.73 F10 (0.59) F10
SCHEMBL4444861 0.71 F10 (0.44) F10MAOB
SCHEMBL4444857 0.71 F10 (0.44) F10MAOB

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-7557102-B2 Pyrazolidine-1,2-dicarboxyldiphenylamide derivatives as coagulation factor Xa inhibitors for the treatment of thromboses MERCK PATENT GMBH (DE) 2009-07-07 US claimed
EP-1608645-B1 PYRAZOLIDINE-1,2-DICARBOXYLDIPHENYLAMIDE DERIVATIVES AS COAGULATION FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBOSES MERCK PATENT GMBH (DE) 2007-05-02 EP claimed
US-20060183742-A1 Pyrazolidine-1,2-dicarboxyldiphenylamide derivatives as coagulation factor xa inhibitors for the treatment of thromboses MERCK PATENT GMBH (DE) 2006-08-17 US claimed
US-7557102-B2 Pyrazolidine-1,2-dicarboxyldiphenylamide derivatives as coagulation factor Xa inhibitors for the treatment of thromboses MERCK PATENT GMBH (DE) 2009-07-07 US disclosed
US-20060183742-A1 Pyrazolidine-1,2-dicarboxyldiphenylamide derivatives as coagulation factor xa inhibitors for the treatment of thromboses MERCK PATENT GMBH (DE) 2006-08-17 US 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-20060183742-A1 Pyrazolidine-1,2-dicarboxyldiphenylamide derivatives as coagulation factor xa inhibitors for the treatment of thromboses F2, SERPINC1, F12 RAB9A 2327/4885NPC1 3630/4885ALDH1A1 512/4885

“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.