SCHEMBL632260

SCHEMBL632260

CCN(Cc1c[nH]cn1)c1cc(Cl)nc(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.37
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL632658 0.88 KDM4E (0.43) KDM4EKMT2AHTTPOLB
SCHEMBL631928 0.82 KDM4E (0.38) KDM4EKMT2AHTT
SCHEMBL632400 0.82 KMT2A (0.36) KDM4EKMT2AHTTSMN1; SMN2
SCHEMBL1603021 0.78 KMT2A (0.67) KDM4EKMT2AHTTPOLBSMN1; SMN2
SCHEMBL631618 0.75 TAAR1 (0.40) KDM4EKMT2A
SCHEMBL8211245 0.74 TAAR1 (0.54)
SCHEMBL631702 0.72 TAAR1 (0.34)
SCHEMBL633519 0.72 S1PR1 (0.48)
SCHEMBL632281 0.72 TAAR1 (0.32)
SCHEMBL632587 0.72 PDE2A (0.33) KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US 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 KDM4E 69/4885KMT2A 282/4885HTT 780/4885

“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.