SCHEMBL5200423

SCHEMBL5200423

CNC(=O)N(C)c1cc(C#N)ccc1CNC(=O)c1cccc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.45
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.41
VNN1 O95497 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
DRD4 P21917 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTR2A P28223 1/20 0.40
THPO P40225 1/20 0.40
HIF1A Q16665 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL5900620 0.89 GFER (0.45) GFERPOLBATMVNN1ALDH1A1
SCHEMBL5900969 0.88 GFER (0.44) GFERPOLBLMNAKDM4ENPC1
SCHEMBL5200420 0.83 GFER (0.44) GFERPOLBATMVNN1ALDH1A1
Hydrochloric Acid SCHEMBL5089155 0.81 CA1 (0.42) POLBATMLMNACA1CA2
SCHEMBL5187590 0.81 NPC1 (0.48) GFERPOLBATMVNN1ALDH1A1
SCHEMBL5177108 0.80 CA1 (0.49) GFERPOLBATMVNN1ALDH1A1
SCHEMBL5177347 0.80 DRD2 (0.50) GFERPOLBATMVNN1ALDH1A1
SCHEMBL5177127 0.78 POLB (0.48) GFERPOLBATMVNN1ALDH1A1
SCHEMBL5900968 0.78 GFER (0.46) GFERPOLBATMVNN1ALDH1A1
SCHEMBL5200426 0.78 VNN1 (0.43) GFERPOLBATMVNN1ALDH1A1

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 3 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

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 GFER 2127/4885POLB 4510/4885ATM 932/4885

“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.