SCHEMBL15840754

SCHEMBL15840754

CCCc1cc(=O)[nH]c(Nc2nc(C)c3cc(C)c(C)cc3n2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.56
MAPT P10636 15/20 0.56
ALDH1A1 P00352 9/20 0.56
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
POLB P06746 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
MEN1 O00255 2/20 0.56
ALPL P05186 1/20 0.56
GAA P10253 3/20 0.53
TP53 P04637 2/20 0.52
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.51
HSD17B10 Q99714 2/20 0.50
MAPK1 P28482 1/20 0.50
HPGD P15428 1/20 0.49
XBP1 P17861 1/20 0.49

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
SCHEMBL2464550 0.86 CREBBP (0.75) CREBBPMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL15840609 0.83 STAT3 (0.74) CREBBPMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL15840770 0.81 MAPT (0.62) CREBBPMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL15840686 0.75 ALDH1A1 (0.51) CREBBPMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL15840752 0.75 CREBBP (0.74) CREBBPMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL15840684 0.75 MAPT (0.64) CREBBPMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL838117 0.74 ALDH1A1 (0.47) CREBBPMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL15840695 0.73 MAPT (0.74) CREBBPMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL15840778 0.73 MAPT (0.60) CREBBPMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL9879088 0.72 GAA (0.75) MAPTKMT2ASMN1; SMN2POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 CREBBP 1243/4885MAPT 1076/4885ALDH1A1 4348/4885

“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.