SCHEMBL5176971

SCHEMBL5176971

COc1cc(Cl)cc(C(=O)NCc2ccc(C#N)cc2N)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 6/20 0.55
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 3/20 0.42
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
RECQL P46063 1/20 0.40
WDR5 P61964 1/20 0.40

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
SCHEMBL5900971 0.89 DDR1 (0.55) DDR1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL5178553 0.84 DDR1 (0.51) DDR1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL5176431 0.83 AKR1B1 (0.50) DDR1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL5189566 0.83 DDR1 (0.50) DDR1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL5900698 0.83 DDR1 (0.49) DDR1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL5900712 0.82 DDR1 (0.48) DDR1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL5175863 0.81 MEN1 (0.51) DDR1MEN1ALDH1A1KMT2AEPHX2
SCHEMBL5176653 0.81 DDR1 (0.46) DDR1MEN1KMT2AEPHX2TP53
SCHEMBL5900674 0.81 DDR1 (0.51) DDR1EPHX2
SCHEMBL5187655 0.80 SMN1; SMN2 (0.50) DDR1RAB9AKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791810-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIA INHIBITORS F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
US-20060116410-A1 4-Aminomethyl benzamidine derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 US disclosed
WO-2006027135-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIIA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-16 WO disclosed
WO-2006027135-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIIA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-16 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-20060116410-A1 4-Aminomethyl benzamidine derivatives F7, HABP2, F12 DDR1 1764/4885RAB9A 1609/4885KDM4E 364/4885

“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.