SCHEMBL5200426

SCHEMBL5200426

CNC(=O)CNc1cc(C#N)ccc1CNC(=O)c1cccc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.43
GFER P55789 1/20 0.42
POLB P06746 1/20 0.42
GPR139 Q6DWJ6 2/20 0.41
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 1/20 0.40
ALDH1A1 P00352 1/20 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
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 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
SCHEMBL5900970 0.88 ANO1 (0.44) VNN1POLBGPR139KMT2AL3MBTL1
SCHEMBL5900621 0.87 GFER (0.44) VNN1GFERPOLBGPR139CA1
SCHEMBL5177558 0.85 GFER (0.46) VNN1GFERPOLBCA1CA2
SCHEMBL5175748 0.84 VNN1 (0.51) VNN1GFERPOLBCA1CA2
SCHEMBL8266398 0.82 F2 (0.44) POLBGPR139CA1CA2L3MBTL1
SCHEMBL5900652 0.81 KMT2A (0.46) POLBDRD2DRD3DRD4KDM4E
Hydrochloric Acid SCHEMBL5089175 0.81 F2 (0.43) POLBGPR139CA1CA2L3MBTL1
SCHEMBL5177108 0.80 CA1 (0.49) VNN1GFERPOLBGPR139CA1
SCHEMBL5177347 0.80 DRD2 (0.50) VNN1GFERPOLBCA1CA2
SCHEMBL5239917 0.80 LMNA (0.49) VNN1POLBGPR139CA1CA2

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 VNN1 1216/4885GFER 2127/4885POLB 4510/4885

“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.