SCHEMBL1250997

SCHEMBL1250997

O=C(Nc1cccc(Cl)c1)c1ccc2nc(-c3c(F)cccc3C(F)(F)F)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.58
▸ KDR P35968 2/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.52
▸ HDAC3 O15379 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52
▸ CHEK2 O96017 2/20 0.46
▸ MAPT P10636 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ NR2E3 Q9Y5X4 1/20 0.45
▸ FOXO1 Q12778 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
SCHEMBL1250454 0.91 DGAT1 (0.66) DGAT1KDRHDAC6CHEK2MAPT
SCHEMBL1250039 0.89 DGAT1 (0.71) DGAT1KDRHDAC6CHEK2MAPT
SCHEMBL1250689 0.87 HDAC6 (0.70) DGAT1KDRHDAC6HDAC3HDAC7
SCHEMBL15252615 0.85 KDR (0.45) DGAT1KDRHDAC6HDAC3HDAC7
SCHEMBL1250541 0.84 DGAT1 (0.57) DGAT1KDRHDAC6MAPTKMT2A
SCHEMBL1250120 0.84 DGAT1 (0.73) DGAT1KDRHDAC6HDAC3HDAC7
SCHEMBL1251033 0.84 HDAC6 (0.58) DGAT1KDRHDAC6HDAC3HDAC7
SCHEMBL1249424 0.83 DGAT1 (0.82) DGAT1KDRHDAC6CHEK2MAPT
SCHEMBL1250909 0.81 DGAT1 (0.77) DGAT1KDRHDAC6HDAC3HDAC7
SCHEMBL3176091 0.81 SMN1; SMN2 (0.56) HDAC6HDAC3HDAC7HDAC10CHEK2

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 1/4885KDR 4765/4885HDAC6 1155/4885

“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.

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