SCHEMBL1250340

SCHEMBL1250340

COc1cccc(OC)c1-c1nc2ccc(C(=O)Nc3cccc(Cl)c3)cc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.62
HDAC6 Q9UBN7 2/20 0.55
GRM5 P41594 1/20 0.53
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
COMT P21964 1/20 0.52
MAPT P10636 2/20 0.52
TP53 P04637 1/20 0.52
HPSE Q9Y251 2/20 0.49
AMY1A P0DUB6 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
SCHEMBL1250541 0.93 DGAT1 (0.57) DGAT1HDAC6GRM5KMT2ANPC1
SCHEMBL1248687 0.90 HDAC6 (0.61) DGAT1HDAC6GRM5KMT2ANPC1
SCHEMBL1251578 0.90 DGAT1 (0.55) DGAT1HDAC6GRM5KMT2AHDAC8
SCHEMBL1250909 0.87 DGAT1 (0.77) DGAT1HDAC6KMT2ANPC1RAB9A
SCHEMBL1249424 0.86 DGAT1 (0.82) DGAT1HDAC6KMT2ANPC1RAB9A
SCHEMBL1249335 0.86 HDAC6 (0.53) DGAT1HDAC6GRM5KMT2AHDAC8
SCHEMBL1250454 0.85 DGAT1 (0.66) DGAT1HDAC6KMT2ANPC1RAB9A
SCHEMBL15252673 0.84 KDR (0.53) DGAT1KMT2ACOMTTP53AMY1A
SCHEMBL1250057 0.84 ATM (0.66) DGAT1KMT2ANPC1RAB9ACOMT
SCHEMBL1248809 0.84 DGAT1 (0.71) DGAT1HDAC6KMT2ANPC1RAB9A

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-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US disclosed
US-20110046133-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-02-24 US disclosed
US-20110046133-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-02-24 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-20110046133-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 DGAT1 1/4885HDAC6 1155/4885GRM5 2359/4885

“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.