SCHEMBL15840588

SCHEMBL15840588

COc1cccc2c(C)nc(Nc3nc(C(F)(F)F)cc(=O)[nH]3)nc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
KMT2A Q03164 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
CREBBP Q92793 2/20 0.60
PKM P14618 1/20 0.60
MAPT P10636 7/20 0.47
STAT3 P40763 2/20 0.47
TP53 P04637 1/20 0.47
STAT1 P42224 1/20 0.47
FABP4 P15090 4/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL15840757 0.86 KMT2A (0.62) ALDH1A1KMT2ASMN1; SMN2CREBBPPKM
SCHEMBL15840827 0.82 MAPK1 (0.59) ALDH1A1KMT2ASMN1; SMN2CREBBPPKM
SCHEMBL15840817 0.82 MAPK1 (0.70) ALDH1A1KMT2ASMN1; SMN2CREBBPPKM
SCHEMBL15840596 0.79 MAPT (0.63) ALDH1A1KMT2ASMN1; SMN2CREBBPPKM
SCHEMBL15840598 0.78 ALDH1A1 (0.59) ALDH1A1KMT2ASMN1; SMN2CREBBPPKM
SCHEMBL22853716 0.77 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2CREBBPPKM
SCHEMBL15840763 0.75 ALDH1A1 (0.62) ALDH1A1KMT2ASMN1; SMN2CREBBPPKM
SCHEMBL15840784 0.73 MAPT (0.56) ALDH1A1KMT2ASMN1; SMN2CREBBPPKM
SCHEMBL15840582 0.73 ALPL (0.65) ALDH1A1KMT2ASMN1; SMN2CREBBPPKM
SCHEMBL15840599 0.72 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2CREBBPPKM

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 ALDH1A1 4348/4885KMT2A 3667/4885SMN1; SMN2 3999/4885

“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.