SCHEMBL632276

SCHEMBL632276

Fc1ccc(NCc2c[nH]cn2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
PLA2G1B P04054 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
MAPT P10636 8/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.42
SHMT2 P34897 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 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
SCHEMBL632273 0.89 MAPT (0.41) SMN1; SMN2CYP3A4CYP2C9CYP2C19PLA2G1B
SCHEMBL633499 0.87 MAPT (0.46) SMN1; SMN2CYP3A4CYP2C9CYP2C19PLA2G1B
SCHEMBL631355 0.87 MAPT (0.44) SMN1; SMN2CYP3A4MAPTMEN1KMT2A
SCHEMBL632743 0.83 MAPT (0.41) SMN1; SMN2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL632032 0.82 MAPT (0.44) SMN1; SMN2CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL632337 0.80 MAPT (0.41) SMN1; SMN2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL632607 0.80 MAPT (0.51) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL631864 0.79 KDM4E (0.47) SMN1; SMN2CYP3A4CYP2C19CYP1A2MEN1
SCHEMBL632034 0.79 S100A9 (0.38) MAPTALDH1A1EGFR
SCHEMBL4966494 0.79 MAP3K8 (0.73) MAP3K8EGFRMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP claimed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP claimed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US claimed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO claimed
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 SMN1; SMN2 1921/4885CYP3A4 22/4885CYP2C9 243/4885

“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.