SCHEMBL701597

SCHEMBL701597

NCc1ccc(Cl)cc1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 3/20 0.56
GLA P06280 1/20 0.56
GAA P10253 1/20 0.56
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
JAK2 O60674 2/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
ADRA1D P25100 4/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
TP53 P04637 1/20 0.42
EPHX1 P07099 1/20 0.42
NOS2 P35228 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL12505398 0.86 KDM4E (0.58) KDM4EALDH1A1GLAGAAJAK2
SCHEMBL27701739 0.85 KDM4E (0.47) KDM4EALDH1A1GLAGAAADRA1D
SCHEMBL1815043 0.85 ALDH1A1 (0.57) KDM4EALDH1A1GAATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL6093450 0.83 ALDH1A1 (0.55) KDM4EALDH1A1GAATP53SMN1; SMN2
SCHEMBL5096118 0.79 KDM4E (0.50) KDM4EALDH1A1GLAGAAJAK2
SCHEMBL1720489 0.79 KDM4E (0.54) KDM4EALDH1A1GLAGAAJAK2
SCHEMBL32665617 0.78 CA12 (0.41) KDM4EALDH1A1HSD17B10MAPTCA1
SCHEMBL7156800 0.78 KDM4E (0.49) KDM4EALDH1A1GLAGAAJAK2
SCHEMBL12505459 0.78 ALDH1A1 (0.49) KDM4EALDH1A1GLAGAAJAK2
SCHEMBL3249235 0.78 KDM4E (0.49) KDM4EALDH1A1GLAGAAJAK2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926743-B1 2-(aminomethyl)-5-chlorobenzylamide derivatives and their use as inhibitors of the clotting factor Xa MEDICINES CO LEIPZIG GMBH (DE) 2013-05-15 EP disclosed
EP-1926743-B1 2-(aminomethyl)-5-chlorobenzylamide derivatives and their use as inhibitors of the clotting factor Xa MEDICINES CO LEIPZIG GMBH (DE) 2013-05-15 EP disclosed
US-8124587-B2 2-(aminomethyl)-5-chlorobenzylamide derivatives and their use as inhibitors of the clotting factor Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-02-28 US disclosed
US-8124587-B2 2-(aminomethyl)-5-chlorobenzylamide derivatives and their use as inhibitors of the clotting factor Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-02-28 US disclosed
US-8124587-B2 2-(aminomethyl)-5-chlorobenzylamide derivatives and their use as inhibitors of the clotting factor Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-02-28 US disclosed
US-20090117185-A1 2-(Aminomethyl)-5-Chlorobenzylamide Derivatives and their use as Inhibitors of the Clotting Factor Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2009-05-07 US disclosed
US-20090117185-A1 2-(Aminomethyl)-5-Chlorobenzylamide Derivatives and their use as Inhibitors of the Clotting Factor Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2009-05-07 US disclosed
US-20090117185-A1 2-(Aminomethyl)-5-Chlorobenzylamide Derivatives and their use as Inhibitors of the Clotting Factor Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2009-05-07 US disclosed
EP-1926743-A1 2-(AMINOMETHYL)-5-CHLOROBENZYLAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE CLOTTING FACTOR Xa Curacyte Chemistry GmbH (DE) 2008-06-04 EP disclosed
EP-1926743-A1 2-(AMINOMETHYL)-5-CHLOROBENZYLAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE CLOTTING FACTOR Xa Curacyte Chemistry GmbH (DE) 2008-06-04 EP disclosed
WO-2007031343-A1 2-(AMINOMETHYL)-5-CHLOROBENZYLAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE CLOTTING FACTOR Xa CURACYTE CHEMISTRY GMBH (DE) 2007-03-22 WO disclosed
WO-2007031343-A1 2-(AMINOMETHYL)-5-CHLOROBENZYLAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE CLOTTING FACTOR Xa CURACYTE CHEMISTRY GMBH (DE) 2007-03-22 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-20090117185-A1 2-(Aminomethyl)-5-Chlorobenzylamide Derivatives and their use as Inhibitors of the Clotting Factor Xa F2, F11, TFPI KDM4E 549/4885ALDH1A1 2053/4885GLA 150/4885

“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.