SCHEMBL11410244

SCHEMBL11410244

CCOOCCCc1ccc(NC(=O)c2ccc3nc(-c4c(Cl)cccc4Cl)[nH]c3c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 8/20 0.66
▸ PRSS12 P56730 1/20 0.53
▸ HDAC3 O15379 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ NR2E3 Q9Y5X4 4/20 0.47
▸ ITGB1 P05556 1/20 0.45
▸ ITGA4 P13612 1/20 0.45
▸ ITGB7 P26010 1/20 0.45
▸ CHEK2 O96017 1/20 0.44
▸ HPSE Q9Y251 2/20 0.44
▸ MAPT P10636 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ APBA1 Q02410 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1248994 0.89 DGAT1 (0.73) DGAT1PRSS12HDAC3HDAC1HDAC2
SCHEMBL1251104 0.86 DGAT1 (0.79) DGAT1PRSS12HDAC3HDAC1HDAC8
SCHEMBL1248588 0.85 DGAT1 (0.67) DGAT1PRSS12HDAC3HDAC1HDAC2
SCHEMBL1248779 0.83 DGAT1 (0.74) DGAT1PRSS12NR2E3ITGB1ITGA4
SCHEMBL1251539 0.81 DGAT1 (0.84) DGAT1HDAC3HDAC6NR2E3CHEK2
SCHEMBL1248774 0.81 DGAT1 (1.00) DGAT1PRSS12HDAC6NR2E3CHEK2
SCHEMBL1250312 0.80 DGAT1 (0.79) DGAT1PRSS12HDAC6NR2E3CHEK2
SCHEMBL1249930 0.79 DGAT1 (0.85) DGAT1PRSS12HDAC3HDAC1HDAC8
SCHEMBL1251452 0.79 DGAT1 (0.80) DGAT1HDAC3HDAC1HDAC2HDAC8
SCHEMBL1251547 0.79 DGAT1 (0.84) DGAT1NR2E3CHEK2MAPT

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 2 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

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 1/4885PRSS12 4183/4885HDAC3 882/4885

“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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