SCHEMBL1250199

SCHEMBL1250199

Cc1ccc(NC(=O)c2ccc3nc(-c4c(C)cc(OC[C@H](O)CO)cc4C)[nH]c3c2)cc1C

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.76
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
CYP3A4 P08684 1/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HPSE Q9Y251 2/20 0.44
CHEK2 O96017 1/20 0.44
ATM Q13315 1/20 0.43
CHEK1 O14757 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL1250268 1.00 DGAT1 (0.76) DGAT1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL1250611 0.86 DGAT1 (1.00) DGAT1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL1250088 0.86 DGAT1 (0.85) DGAT1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL3169776 0.85 DGAT1 (0.56) DGAT1NPC1RAB9AHDAC3HDAC6
SCHEMBL3169760 0.85 DGAT1 (0.56) DGAT1NPC1RAB9AHDAC3HDAC6
SCHEMBL3169783 0.85 DGAT1 (0.56) DGAT1NPC1RAB9AHDAC3HDAC6
SCHEMBL1250142 0.85 DGAT1 (1.00) DGAT1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL1250186 0.85 DGAT1 (0.83) DGAT1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL1250670 0.84 DGAT1 (0.82) DGAT1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL1248992 0.84 DGAT1 (0.82) DGAT1NPC1RAB9ASMN1; SMN2HDAC3

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 1/4885NPC1 32/4885RAB9A 1888/4885

“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.