SCHEMBL3524892

SCHEMBL3524892

CC1Cc2ccccc2N1Cc1c[nH]cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.47
ALDH1A1 P00352 7/20 0.47
MEN1 O00255 6/20 0.47
KDM4E B2RXH2 2/20 0.47
ALOX15 P16050 1/20 0.47
STAT3 P40763 1/20 0.47
GAA P10253 2/20 0.46
LMNA P02545 5/20 0.43
MAPT P10636 3/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 2/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL3524895 1.00 KMT2A (0.47) KMT2AALDH1A1MEN1KDM4EALOX15
SCHEMBL3524896 1.00 KMT2A (0.47) KMT2AALDH1A1MEN1KDM4EALOX15
SCHEMBL3526073 0.88 CHRM2 (0.46) KMT2AALDH1A1MEN1KDM4EALOX15
SCHEMBL3526076 0.88 CHRM2 (0.46) KMT2AALDH1A1MEN1KDM4EALOX15
SCHEMBL3526071 0.88 CHRM2 (0.46) KMT2AALDH1A1MEN1KDM4EALOX15
SCHEMBL3527087 0.82 ROCK1 (0.42) KMT2AALDH1A1MEN1KDM4EALOX15
SCHEMBL3524725 0.82 ALDH1A1 (0.43) KMT2AALDH1A1MEN1KDM4EALOX15
SCHEMBL3524729 0.82 ALDH1A1 (0.43) KMT2AALDH1A1MEN1KDM4EALOX15
SCHEMBL3527082 0.82 ROCK1 (0.42) KMT2AALDH1A1MEN1KDM4EALOX15
SCHEMBL3524723 0.82 ALDH1A1 (0.43) KMT2AALDH1A1MEN1KDM4EALOX15

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 KMT2A 995/4885ALDH1A1 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.