SCHEMBL1250952

SCHEMBL1250952

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.54
▸ HDAC3 O15379 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ CHEK2 O96017 8/20 0.51
▸ ITGB1 P05556 1/20 0.45
▸ ITGA4 P13612 1/20 0.45
▸ ITGB7 P26010 1/20 0.45
▸ PTGES O14684 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SCD O00767 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ F10 P00742 1/20 0.43
▸ PLG P00747 1/20 0.43
▸ PLAU P00749 1/20 0.43
▸ PLAT P00750 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
SCHEMBL1252197 0.91 SMN1; SMN2 (0.55) DGAT1HDAC3HDAC7HDAC10HDAC6
SCHEMBL1250544 0.87 KDM4E (0.58) DGAT1HDAC3HDAC7HDAC10HDAC6
Hydrochloric Acid SCHEMBL1249302 0.87 DGAT1 (0.65) DGAT1CHEK2ITGB1ITGA4ITGB7
SCHEMBL1250125 0.81 CYP3A4 (0.68) DGAT1HDAC3HDAC7HDAC10HDAC6
SCHEMBL3176091 0.78 SMN1; SMN2 (0.56) HDAC3HDAC7HDAC10HDAC6CHEK2
SCHEMBL1250303 0.78 DGAT1 (0.73) DGAT1HDAC3HDAC7HDAC10HDAC6
SCHEMBL1248424 0.78 DGAT1 (0.67) DGAT1CHEK2ITGB1ITGA4ITGB7
SCHEMBL1250120 0.77 DGAT1 (0.73) DGAT1HDAC3HDAC7HDAC10HDAC6
Hydrochloric Acid SCHEMBL1249167 0.76 DGAT1 (0.63) DGAT1HDAC3HDAC7HDAC6CHEK2
SCHEMBL1249086 0.75 DGAT1 (0.79) DGAT1CHEK2PTGES

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 — — EP disclosed
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
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 — — EP disclosed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 — — WO 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 1/4885HDAC3 882/4885HDAC7 2597/4885

“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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