SCHEMBL1249431

SCHEMBL1249431

Cn1c(-c2c(Cl)cccc2Cl)nc2cc(C(=O)O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 4/20 0.55
▸ NR1H4 Q96RI1 4/20 0.55
▸ PTGER4 P35408 2/20 0.52
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50
▸ HDAC6 Q9UBN7 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ THRB P10828 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HCAR3 P49019 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ SLC22A12 Q96S37 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HPGD P15428 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
SCHEMBL3175866 0.90 VDR (0.55) VDRNR1H4SLC22A12TDP1
SCHEMBL1250669 0.84 SIRT2 (0.52) VDRNR1H4PTGER4
SCHEMBL1965470 0.81 HDAC6 (0.56) VDRNR1H4PTGER4HDAC1HDAC8
SCHEMBL25315207 0.80 HDAC1 (0.67) VDRNR1H4PTGER4HDAC1HDAC8
SCHEMBL1251371 0.80 NPC1 (0.54) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL3178026 0.78 VDR (0.48) VDRNR1H4HCAR3SLC22A12
SCHEMBL1966953 0.77 HDAC1 (0.52) VDRNR1H4PTGER4HDAC1HDAC8
SCHEMBL554569 0.77 HSD17B10 (0.64) HSD17B10THRBHTTHCAR3SMN1; SMN2
SCHEMBL22904894 0.77 MCL1 (0.43) VDRNR1H4PTGER4HDAC1HDAC8
SCHEMBL29443069 0.77 MCL1 (0.43) VDRNR1H4PTGER4HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 — — US claimed
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
US-20100016387-A1 METHOD OF TREATMENT BOSE AVIRUP 2010-01-21 — — US disclosed
EP-2101783-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA Novartis Ag (CH) 2009-09-23 — — EP disclosed
WO-2009112445-A1 METHOD OF INCREASING CELLULAR PHOSPHATIDYL CHOLINE BY DGAT1 INHIBITION NOVARTIS AG (CH) 2009-09-17 — — WO disclosed
WO-2008073865-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA NOVARTIS AG (CH) 2008-06-19 — — 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 (2 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 VDR 2630/4885NR1H4 858/4885PTGER4 4662/4885
US-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA VDR 2902/4885NR1H4 611/4885PTGER4 2842/4885

“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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