SCHEMBL4449021

SCHEMBL4449021

O=C1CCCCN1c1ccc(NC(=O)N2CC(O)CN2C(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.49
F2 P00734 1/20 0.49
MAPT P10636 4/20 0.49
POLB P06746 2/20 0.45
FPR1 P21462 1/20 0.45
FPR2 P25090 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL4446443 0.88 MAPT (0.53) F10F2MAPTFPR1FPR2
SCHEMBL3828915 0.82 F10 (0.73) F10F2MAPTPOLBMEN1
SCHEMBL4454005 0.82 F10 (0.71) F10MAPT
SCHEMBL4446309 0.81 F10 (0.45) F10MAPTFPR1FPR2MEN1
SCHEMBL4442842 0.81 F10 (0.42) F10MAPTPOLBLMNATSHR
SCHEMBL5443184 0.80 MAPT (0.57) F10F2MAPTLMNAHPGD
SCHEMBL13725967 0.78 F10 (0.53) F10POLBMEN1KMT2ALMNA
SCHEMBL2725729 0.77 MAPT (0.59) F10MAPTLMNAHPGDALDH1A1
SCHEMBL3834531 0.76 POLB (0.47) F10F2MAPTPOLBMEN1
SCHEMBL5431366 0.76 F10 (0.71) F10F2MAPTFPR1FPR2

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 F10 7/4885F2 1/4885MAPT 4742/4885

“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.