SCHEMBL6985977

SCHEMBL6985977

COc1cc2c(cc1OC)CN(C(=O)CC(C)(C)C)CC2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
NPC1 O15118 1/20 0.63
ABCB1 P08183 1/20 0.58
ABCC1 P33527 1/20 0.58
MAPT P10636 3/20 0.57
MEN1 O00255 3/20 0.57
POLB P06746 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 3/20 0.56
DPP8 Q6V1X1 1/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
RAB9A P51151 1/20 0.55
HCRTR1 O43613 1/20 0.55
HCRTR2 O43614 1/20 0.55

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
SCHEMBL13002466 0.92 KMT2A (0.56) KMT2ANPC1ABCB1ABCC1MAPT
SCHEMBL13060103 0.88 KMT2A (0.59) KMT2ANPC1ABCB1ABCC1MAPT
SCHEMBL3321217 0.87 KMT2A (0.58) KMT2ANPC1ABCB1ABCC1MAPT
SCHEMBL14996180 0.84 KMT2A (0.67) KMT2ANPC1ABCB1ABCC1MAPT
SCHEMBL21255890 0.83 KMT2A (0.66) KMT2ANPC1ABCB1ABCC1MAPT
SCHEMBL22196923 0.83 KMT2A (0.66) KMT2ANPC1ABCB1ABCC1MAPT
SCHEMBL13059438 0.82 KMT2A (0.68) KMT2ANPC1ABCB1ABCC1MAPT
SCHEMBL28263863 0.81 KMT2A (0.63) KMT2ANPC1ABCB1ABCC1MAPT
SCHEMBL7333685 0.80 KMT2A (0.65) KMT2ANPC1ABCB1ABCC1MAPT
SCHEMBL7006650 0.79 MAPK1 (0.65) KMT2ANPC1MAPTMEN1MAPK1

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-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 US disclosed
EP-1288202-A1 N-ACYLTETRAHYDROISOQUINOLINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-03-05 EP 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-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 KMT2A 4445/4885NPC1 663/4885ABCB1 171/4885

“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.