SCHEMBL15840778

SCHEMBL15840778

COc1ccccc1-c1cc(=O)[nH]c(Nc2nc(C)c3cc(C)c(C)cc3n2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.60
RAB9A P51151 4/20 0.60
NPC1 O15118 2/20 0.60
HTT P42858 2/20 0.60
MITF O75030 1/20 0.60
PAX8 Q06710 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ALDH1A1 P00352 10/20 0.57
KMT2A Q03164 5/20 0.57
LMNA P02545 4/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
STAT3 P40763 1/20 0.53
CREBBP Q92793 2/20 0.50
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL15840760 0.78 MAPT (0.78) MAPTRAB9ANPC1HTTMITF
SCHEMBL9965551 0.78 MAPT (0.66) MAPTRAB9ANPC1HTTMITF
SCHEMBL15840590 0.76 MAPK1 (0.75) MAPTRAB9ANPC1HTTMITF
SCHEMBL15840817 0.75 MAPK1 (0.70) MAPTRAB9ANPC1HTTMITF
SCHEMBL15840754 0.73 CREBBP (0.56) MAPTHTTMAPK1HSD17B10ALDH1A1
SCHEMBL15840762 0.73 CREBBP (0.64) MAPTRAB9ANPC1HTTMITF
SCHEMBL12473146 0.72 MAPT (0.85) MAPTRAB9ANPC1HTTMITF
SCHEMBL15840827 0.71 MAPK1 (0.59) MAPTRAB9ANPC1HTTMITF
SCHEMBL22853715 0.71 MAPT (0.49) MAPTRAB9ANPC1HTTMITF
SCHEMBL15840596 0.71 MAPT (0.63) MAPTRAB9ANPC1HTTMITF

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 MAPT 1076/4885RAB9A 2629/4885NPC1 3164/4885

“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.