SCHEMBL9903250

SCHEMBL9903250

NC[CH]c1ccccc1OC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KMT2A Q03164 6/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ NFE2L2 Q16236 2/20 0.37
▸ KDM4E B2RXH2 5/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ GAA P10253 3/20 0.36
▸ SRC P12931 1/20 0.36
▸ TFEB P19484 1/20 0.35
▸ LMNA P02545 2/20 0.34

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
SCHEMBL5392535 0.86 PTGDR2 (0.41) PTGDR2ALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL9903546 0.81 PTGDR2 (0.38) PTGDR2ALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL26106629 0.81 ALDH1A1 (0.55) PTGDR2ALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL4585584 0.78 KMT2A (0.40) PTGDR2ALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL4193610 0.78 NFE2L2 (0.41) PTGDR2ALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL7029967 0.76 KMT2A (0.52) ALDH1A1HTTHPGDSMN1; SMN2KMT2A
SCHEMBL29728552 0.76 KMT2A (0.52) ALDH1A1HTTHPGDSMN1; SMN2KMT2A
SCHEMBL25435693 0.75 CDK4 (0.52) PTGDR2ALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL10469794 0.74 PTGDR2 (0.37) PTGDR2ALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL28020798 0.73 NFE2L2 (0.50) ALDH1A1HPGDSMN1; SMN2KMT2AMEN1

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
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 — — EP claimed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 — — US claimed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 — — US claimed
EP-2462141-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 — — EP claimed
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 — — EP disclosed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 — — US disclosed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 — — 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-20120277228-A1 Novel Azaheterocyclic Compounds PCNA, MCL1, MYC PTGDR2 922/4885ALDH1A1 1038/4885HTT 3102/4885

“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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