SCHEMBL1568898

SCHEMBL1568898

O=C(Nc1ccc2cccnc2c1)Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 2/20 0.55
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ NOTUM Q6P988 1/20 0.54
▸ TRPV1 Q8NER1 1/20 0.54
▸ MAPT P10636 5/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ PABPC1 P11940 1/20 0.51
▸ POLB P06746 2/20 0.50
▸ KIT P10721 1/20 0.50
▸ PDGFRA P16234 1/20 0.50
▸ BAZ1A Q9NRL2 1/20 0.50
▸ RAD51 Q06609 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ PORCN Q9H237 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ GFER P55789 1/20 0.48

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
SCHEMBL1568786 0.89 PABPC1 (0.65) MEN1KMT2ANOTUMMAPTALDH1A1
SCHEMBL6630687 0.86 HSP90AA1 (0.56) P2RY14MEN1KMT2ANOTUMTRPV1
SCHEMBL24969695 0.82 ALDH1A1 (0.63) MEN1KMT2ATRPV1MAPTALDH1A1
SCHEMBL30206829 0.82 ALDH1A1 (0.63) MEN1KMT2ATRPV1MAPTALDH1A1
SCHEMBL27528745 0.81 MEN1 (0.63) P2RY14MEN1KMT2ANOTUMTRPV1
SCHEMBL6363418 0.80 MEN1 (0.70) P2RY14MEN1KMT2ATRPV1PABPC1
SCHEMBL27389314 0.79 MEN1 (0.76) P2RY14MEN1KMT2ANOTUMTRPV1
SCHEMBL7101847 0.79 PABPC1 (0.79) MEN1KMT2ANOTUMTRPV1MAPT
SCHEMBL28663512 0.78 ALDH1A1 (0.69) MEN1KMT2AMAPTALDH1A1PABPC1
SCHEMBL3310740 0.77 MEN1 (0.63) P2RY14MEN1KMT2ANOTUMTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014111871-A1 4,5-DIHYDROISOXAZOLE DERIVATIVES AS NAMPT INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-07-24 — — WO disclosed
WO-2014111871-A1 4,5-DIHYDROISOXAZOLE DERIVATIVES AS NAMPT INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-07-24 — — WO disclosed
EP-2307387-B1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE HOFFMANN LA ROCHE (CH) 2013-11-20 — — EP disclosed
US-8071586-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2011-12-06 — — US disclosed
EP-2307387-A1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE F. Hoffmann-La Roche AG (CH) 2011-04-13 — — EP disclosed
WO-2010006938-A1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 — — WO disclosed
US-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-21 — — 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-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 P2RY14 183/4885MEN1 3301/4885KMT2A 4595/4885

“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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