SCHEMBL3176844

SCHEMBL3176844

O=C(O)c1ccc2nc(-c3ccc(Cl)cc3)n(CCO)c2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 4/20 0.52
▸ PTGER4 P35408 2/20 0.52
▸ POLB P06746 1/20 0.51
▸ CDH1 P12830 1/20 0.50
▸ APC P25054 1/20 0.50
▸ CTNNB1 P35222 1/20 0.50
▸ TCF7L2 Q9NQB0 1/20 0.50
▸ NR1H4 Q96RI1 2/20 0.49
▸ RHEB Q15382 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ SIRT1 Q96EB6 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ TBXA2R P21731 1/20 0.46
▸ DHODH Q02127 2/20 0.46
▸ VDR P11473 1/20 0.45
▸ CHEK2 O96017 1/20 0.45
▸ ALDH1A1 P00352 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
SCHEMBL3162127 0.82 CHEK2 (0.57) PIN1PTGER4POLBCDH1APC
SCHEMBL3168338 0.82 NR1H4 (0.49) PIN1PTGER4NR1H4RHEBVDR
SCHEMBL3171773 0.81 PTGER4 (0.48) PIN1PTGER4NR1H4KDM4EALDH1A1
SCHEMBL1249228 0.80 RAB9A (0.48) PIN1KDM4EDRD2TBXA2R
SCHEMBL3167934 0.78 PTGER4 (0.49) PIN1PTGER4NR1H4DHODHVDR
SCHEMBL28503579 0.76 ALDH1A1 (0.63) PIN1RHEBKDM4EHTTDRD2
SCHEMBL3171231 0.74 PTGER4 (0.48) PIN1PTGER4NR1H4VDR
SCHEMBL1251505 0.74 NR1H4 (0.43) PIN1PTGER4NR1H4VDR
SCHEMBL2551496 0.74 PTGER4 (0.54) PIN1PTGER4CHEK2
SCHEMBL14616784 0.73 RIPK2 (0.71) PIN1PTGER4CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 — — EP claimed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 — — WO 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-20100016387-A1 METHOD OF TREATMENT BOSE AVIRUP 2010-01-21 — — US disclosed
CN-101600437-A method for preventing or treating myocardial ischemia NOVARTIS AG (CH) 2009-12-09 — — CN disclosed
EP-2101783-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA Novartis Ag (CH) 2009-09-23 — — EP disclosed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 — — EP disclosed
WO-2008073865-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA NOVARTIS AG (CH) 2008-06-19 — — WO 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-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA PIN1 3080/4885PTGER4 2842/4885POLB 2368/4885

“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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