SCHEMBL5900969

SCHEMBL5900969

Cc1cccc(C(=O)NCc2ccc(C#N)cc2N(C)C(=O)Nc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KCNK3 O14649 2/20 0.43
KCNK9 Q9NPC2 2/20 0.43
POLB P06746 2/20 0.43
P2RY2 P41231 1/20 0.42
GPR17 Q13304 1/20 0.42
PPARG P37231 1/20 0.42
ROCK2 O75116 1/20 0.42
BCHE P06276 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KCNH2 Q12809 1/20 0.40
MAPT P10636 2/20 0.40
ANO1 Q5XXA6 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FFAR1 O14842 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
SCHEMBL5200423 0.88 GFER (0.45) GFERMEN1KMT2APOLBP2RY2
SCHEMBL5900620 0.85 GFER (0.45) GFERMEN1KMT2APOLBP2RY2
Hydrochloric Acid SCHEMBL5900689 0.82 PPARG (0.43) MEN1KMT2AKCNK3KCNK9POLB
SCHEMBL5187590 0.82 NPC1 (0.48) GFERPOLBROCK2KDM4ENPC1
SCHEMBL5900970 0.81 ANO1 (0.44) MEN1KMT2AKCNK3KCNK9POLB
SCHEMBL5200420 0.80 GFER (0.44) GFERMEN1KMT2APOLBP2RY2
SCHEMBL5900968 0.79 GFER (0.46) GFERMEN1KMT2APOLBKDM4E
SCHEMBL5177108 0.77 CA1 (0.49) GFERPOLBP2RY2GPR17KDM4E
SCHEMBL5177347 0.77 DRD2 (0.50) GFERPOLBP2RY2GPR17KDM4E
SCHEMBL5175748 0.75 VNN1 (0.51) GFERKMT2APOLBNPC1RAB9A

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 GFER 2127/4885MEN1 1702/4885KMT2A 948/4885

“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.