SCHEMBL3527082

SCHEMBL3527082

CC1Cc2cc(F)ccc2N1Cc1c[nH]cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.42
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
STAT3 P40763 1/20 0.38
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.35
AKT1 P31749 4/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL3527087 1.00 ROCK1 (0.42) ROCK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3527084 1.00 ROCK1 (0.42) ROCK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3528662 0.89 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL3528668 0.89 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL3528665 0.89 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL3524729 0.85 ALDH1A1 (0.43) ROCK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3524725 0.85 ALDH1A1 (0.43) ROCK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3524723 0.85 ALDH1A1 (0.43) ROCK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4250287 0.85 ALDH1A1 (0.35) ROCK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3527972 0.83 MTNR1A (0.38) ALDH1A1MEN1KMT2AKDM4EALOX15

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-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US claimed
US-7858652-B2 Substituted 4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
EP-2084152-A2 SUBSTITUTED 4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-08-05 EP disclosed
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
WO-2008058867-A2 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 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-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES TAAR1, TAAR5, TACR1 ROCK1 1612/4885ALDH1A1 701/4885MEN1 1148/4885

“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.