SCHEMBL631355

SCHEMBL631355

Clc1ccc(NCc2c[nH]cn2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DHFR P00374 1/20 0.38
POLA1 P09884 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
CYP3A4 P08684 1/20 0.37
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35

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 0.87 MAPT (0.41) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL632276 0.87 SMN1; SMN2 (0.52) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL632743 0.87 MAPT (0.41) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL632607 0.83 MAPT (0.51) MAPTMEN1KMT2AATMALDH1A1
SCHEMBL632701 0.83 UTS2R (0.43) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL632032 0.82 MAPT (0.44) MAPTMEN1KMT2ADHFRSMN1; SMN2
SCHEMBL632034 0.80 S100A9 (0.38) MAPTALDH1A1
SCHEMBL631864 0.80 KDM4E (0.47) MEN1KMT2ADHFRSMN1; SMN2ALDH1A1
SCHEMBL632224 0.79 ALDH1A1 (0.39) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL632321 0.78 NPC1 (0.43) MAPTDHFRALDH1A1CYP3A4

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 12 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
EP-0081324-B1 SUBSTITUTED PHARMACOLOGICALLY ACITVE IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos Group Ltd. (FI) 1986-08-06 EP disclosed
US-4517198-A Diuretic imidazole derivatives FARMOS GROUP LTD. (FI) 1985-05-14 US disclosed
EP-0081324-A2 Substituted pharmacologically acitve imidazole derivatives and their preparation and use Farmos Group Ltd. (FI) 1983-06-15 EP 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.