SCHEMBL5900971

SCHEMBL5900971

COc1cc(Cl)cc(C(=O)NCc2ccc(C#N)cc2O)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 4/20 0.55
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
DRD3 P35462 3/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 4/20 0.42
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 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
SCHEMBL5188666 0.89 DDR1 (0.46) DDR1DRD2DRD4DRD3RAB9A
SCHEMBL5176971 0.89 DDR1 (0.55) DDR1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL5186813 0.86 DDR1 (0.50) DDR1DRD2DRD4DRD3EPHX2
SCHEMBL5901009 0.85 DDR1 (0.44) DDR1RAB9AALDH1A1EPHX2
SCHEMBL5178553 0.84 DDR1 (0.51) DDR1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL5177650 0.84 HPGD (0.60) DRD2DRD4DRD3RAB9AEPHX2
SCHEMBL5189566 0.83 DDR1 (0.50) DDR1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL5176431 0.83 AKR1B1 (0.50) DDR1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL5900698 0.83 DDR1 (0.49) DDR1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL5900712 0.82 DDR1 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116410-A1 4-Aminomethyl benzamidine derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 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-20060116410-A1 4-Aminomethyl benzamidine derivatives F7, HABP2, F12 DDR1 1764/4885DRD2 3657/4885DRD4 2144/4885

“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.