SCHEMBL10154817

SCHEMBL10154817

COc1cc(CC(=O)N2CCN(C)CC2)ccc1N

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.63
HTT P42858 1/20 0.57
GFER P55789 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ATM Q13315 1/20 0.50
PI4KB Q9UBF8 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
NAMPT P43490 1/20 0.47
NPC1 O15118 1/20 0.45

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
SCHEMBL19356243 0.89 HTT (0.60) MAPTHTTGFERSMN1; SMN2ALDH1A1
SCHEMBL11304999 0.89 HTT (0.60) MAPTHTTGFERSMN1; SMN2ALDH1A1
SCHEMBL15651281 0.86 HTT (0.79) MAPTHTTGFERSMN1; SMN2ALDH1A1
SCHEMBL10668207 0.85 MAPT (0.58) MAPTHTTGFERSMN1; SMN2HPGD
SCHEMBL5086751 0.82 MAPT (0.56) MAPTHTTGFERSMN1; SMN2ALDH1A1
SCHEMBL9321597 0.77 MAPT (1.00) MAPTGFERSMN1; SMN2ALDH1A1HPGD
SCHEMBL2747321 0.77 MAPT (0.68) MAPTSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL10668247 0.77 KCNJ1 (0.51) MAPTSMN1; SMN2ALDH1A1KDM4ESIGMAR1
SCHEMBL520418 0.77 POLB (0.63) MAPTSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL29531076 0.77 POLB (0.63) MAPTSMN1; SMN2ALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
WO-2010129053-A2 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INSTITUTE (US) 2010-11-11 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-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB4 MAPT 2615/4885HTT 3145/4885GFER 3026/4885

“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.