SCHEMBL29518695

SCHEMBL29518695

O=C(c1cnc(-c2ccccc2O)cn1)c1cnc(-c2ccccc2O)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 4/20 0.43
▸ ATR Q13535 2/20 0.43
▸ KDM1A O60341 2/20 0.42
▸ ALOX5AP P20292 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ HTR2B P41595 1/20 0.38
▸ OXTR P30559 1/20 0.38
▸ AVPR1A P37288 1/20 0.38
▸ CYP19A1 P11511 1/20 0.37
▸ HSD17B14 Q9BPX1 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ BCL2L1 Q07817 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ MAOA P21397 1/20 0.36

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
SCHEMBL2643887 0.74 FEN1 (0.66) IDO1KDM1AALOX5APFEN1
SCHEMBL28458373 0.74 HTR2B (0.49) IDO1ATRKDM1AALOX5APFEN1
SCHEMBL14988372 0.71 CCR6 (0.48) KDM1AALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL2070382 0.70 LDHA (0.64) IDO1KDM1ACYP19A1ALDH1A1HPGD
SCHEMBL5934219 0.69 ALPL (0.49) IDO1ATRALDH1A1HPGDHSD17B10
SCHEMBL11886380 0.68 IDO1 (0.47) IDO1KDM1AALOX5APFEN1CYP19A1
SCHEMBL31681935 0.68 IDO1 (0.47) IDO1KDM1AALOX5APFEN1CYP19A1
Acetic Acid SCHEMBL7239234 0.68 ALOX5AP (0.45) IDO1KDM1AALOX5APFEN1ALDH1A1
SCHEMBL13818451 0.67 NPC1 (0.62) IDO1KDM1ACYP19A1ALDH1A1HPGD
SCHEMBL21661952 0.67 KDM1A (0.51) IDO1KDM1AALOX5APFEN1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220033362-A1 SYNTHETIC METHOD AND APPLICATION OF 2-HYDROXYPHENYL-5-PYRAZINYL KETONE INTELLIGENT MANUFACTURING INSTITUTE OF HEFEI UNIVERSITY TECHNOLOGY (CN) 2022-02-03 — — 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-20220033362-A1 SYNTHETIC METHOD AND APPLICATION OF 2-HYDROXYPHENYL-5-PYRAZINYL KETONE PAH, HRH2, HRH4 IDO1 376/4885ATR 721/4885KDM1A 1115/4885

“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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