SCHEMBL632701

SCHEMBL632701

COc1cc(NCc2c[nH]cn2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.43
GRM4 Q14833 3/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 8/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GPX4 P36969 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 3/20 0.38
HTT P42858 1/20 0.38
IDH1 O75874 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL632607 0.90 MAPT (0.51) GRM4MAPTALDH1A1LMNANPSR1
SCHEMBL631355 0.83 MAPT (0.44) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL632273 0.80 MAPT (0.41) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL631815 0.77 MAPT (0.49) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL632743 0.77 MAPT (0.41) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL632276 0.77 SMN1; SMN2 (0.52) GRM4MAPTALDH1A1LMNANPSR1
SCHEMBL632034 0.76 S100A9 (0.38) MAPTALDH1A1IDH1
SCHEMBL632032 0.75 MAPT (0.44) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL3160803 0.74 SUV39H2 (0.53) UTS2RGRM4HDAC6MAPTALDH1A1
SCHEMBL8211561 0.74 TAAR1 (0.51)

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 UTS2R 3583/4885GRM4 18/4885HDAC6 633/4885

“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.