SCHEMBL464532

SCHEMBL464532

O=Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ HSD17B10 Q99714 4/20 0.56
▸ TSHR P16473 3/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ MAPK1 P28482 2/20 0.43
▸ TAAR1 Q96RJ0 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ BCL2L1 Q07817 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41

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
SCHEMBL27251960 0.88 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRCYP3A4TDP1
SCHEMBL10887099 0.88 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRCYP3A4TDP1
Nitrosobenzene SCHEMBL3176061 0.82 — —
Nitrosobenzene SCHEMBL103117 0.82 — —
Nitrosobenzene SCHEMBL28014686 0.82 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRCYP3A4TDP1
SCHEMBL14639889 0.80 HTT (0.40) ALDH1A1HSD17B10TSHRCYP3A4TDP1
SCHEMBL27251980 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRCYP3A4TDP1
SCHEMBL27251974 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRCYP3A4TDP1
Nitrosobenzene SCHEMBL30901881 0.79 — —
Nitrosobenzene SCHEMBL27874353 0.79 — —

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
US-20120070783-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER, AND METHOD FOR FORMING RESIST PATTERN JSR CORPORATION (JP) 2012-03-22 — — US disclosed
US-20120065291-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER, AND COMPOUND JSR CORPORATION (JP) 2012-03-15 — — US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 — — US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 — — US disclosed
US-7244845-B2 Process for preparing cyclic N-substituted alpha-imino carboxylic acids SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-17 — — US disclosed
US-7244845-B2 Process for preparing cyclic N-substituted alpha-imino carboxylic acids SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-17 — — US disclosed
EP-0009267-A1 Process for the preparation of p-nitroso-diphenylhydroxylamines AKZO N.V. (NL) 1980-04-02 — — EP 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-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 ALDH1A1 852/4885HSD17B10 4228/4885TSHR 2283/4885
US-20120065291-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER, AND COMPOUND RAD51, RER1, XRCC5 ALDH1A1 2935/4885HSD17B10 4462/4885TSHR 3647/4885

“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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