SCHEMBL631899

SCHEMBL631899

COc1cccc(CNc2cccc(Cl)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.71
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
ALDH1A1 P00352 2/20 0.59
GAA P10253 2/20 0.59
KDM4E B2RXH2 1/20 0.59
EGFR P00533 2/20 0.58
ABL1 P00519 1/20 0.58
CDK1 P06493 1/20 0.58
HIF1A Q16665 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
MAPK1 P28482 1/20 0.55
CHRM2 P08172 1/20 0.54
NOS1 P29475 1/20 0.52
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
ERBB3 P21860 1/20 0.51
ABCB1 P08183 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
HDAC4 P56524 1/20 0.51

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
SCHEMBL6693492 0.95 MAPT (0.69) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL6695006 0.89 MAPT (0.68) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL24097464 0.89 MAPT (0.68) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL17602062 0.86 NPC1 (0.65) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL1134085 0.84 HIF1A (0.76) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL30373777 0.84 HIF1A (0.76) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL12846667 0.84 FFAR1 (0.62) MAPTMEN1KMT2A
SCHEMBL632217 0.84 CHRM2 (0.55) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL1964976 0.83 BCHE (0.63) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL10925112 0.83 MAPT (0.60) MAPTMEN1KMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 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-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R MAPT 36/4885MEN1 941/4885KMT2A 282/4885

“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.