SCHEMBL3529499

SCHEMBL3529499

Cc1nc(CN2c3ccc(Cl)cc3CC2C)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
ROCK1 Q13464 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
STAT3 P40763 1/20 0.39
SRD5A1 P18405 7/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HTR1A P08908 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
AADAT Q8N5Z0 1/20 0.32
NOTUM Q6P988 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL3529503 1.00 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3529501 1.00 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3526928 0.83 KMT2A (0.49) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3526931 0.83 KMT2A (0.49) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3526929 0.83 KMT2A (0.49) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3524725 0.80 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3524729 0.80 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3524723 0.80 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL12993130 0.76 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3529086 0.76 TRPV1 (0.50) ALDH1A1MAPTROCK1SRD5A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 701/4885MEN1 1148/4885KMT2A 995/4885

“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.