SCHEMBL2229324

SCHEMBL2229324

O=C(O)c1ccc(/N=N/c2ccccc2)cc1.[Fe].[Fe].[Fe].[Fe]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.95
▸ KMT2A Q03164 6/20 0.60
▸ NPC1 O15118 6/20 0.60
▸ MAPT P10636 6/20 0.60
▸ MEN1 O00255 5/20 0.60
▸ RAB9A P51151 5/20 0.60
▸ L3MBTL1 Q9Y468 3/20 0.60
▸ POLB P06746 2/20 0.60
▸ CASP3 P42574 1/20 0.60
▸ SENP8 Q96LD8 1/20 0.60
▸ SENP7 Q9BQF6 1/20 0.60
▸ SENP6 Q9GZR1 1/20 0.60
▸ TSHR P16473 2/20 0.56
▸ DAO P14920 1/20 0.56
▸ NAPRT Q6XQN6 1/20 0.56
▸ CD69 Q07108 1/20 0.56
▸ CA1 P00915 2/20 0.55
▸ CA2 P00918 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ TP53 P04637 1/20 0.55

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
SCHEMBL20307199 0.98 TRPA1 (1.00) TRPA1KMT2ANPC1MAPTMEN1
SCHEMBL168297 0.98 TRPA1 (1.00) TRPA1KMT2ANPC1MAPTMEN1
SCHEMBL3361521 0.98 TRPA1 (1.00) TRPA1KMT2ANPC1MAPTMEN1
SCHEMBL384410 0.98 TRPA1 (1.00) TRPA1KMT2ANPC1MAPTMEN1
Hydrochloric Acid SCHEMBL5067542 0.95 TRPA1 (0.95) TRPA1KMT2ANPC1MAPTMEN1
SCHEMBL29200293 0.91 TRPA1 (0.88) TRPA1KMT2ANPC1MAPTMEN1
Azobenzene SCHEMBL27803629 0.91 TRPA1 (0.86) TRPA1KMT2ANPC1MAPTMEN1
Azobenzene SCHEMBL29187231 0.91 TRPA1 (0.86) TRPA1KMT2ANPC1MAPTMEN1
Azobenzene SCHEMBL27803630 0.91 TRPA1 (0.86) TRPA1KMT2ANPC1MAPTMEN1
SCHEMBL31702246 0.91 TRPA1 (0.86) TRPA1KMT2ANPC1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8926736-B2 Reducible porous crystalline hybrid solid for the separation of mixtures of molecules having different degrees and/or a different number of unsaturations CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE -CNRS- (FR) 2015-01-06 — — US disclosed
US-20110172412-A1 REDUCIBLE POROUS CRYSTALLINE HYBRID SOLID FOR THE SEPARATION OF MIXTURES OF MOLECULES HAVING DIFFERENT DEGREES AND/OR A DIFFERENT NUMBER OF UNSATURATIONS UNIVERSITE DE CAEN-BASSE NORMANDIE (FR) 2011-07-14 — — 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-20110172412-A1 REDUCIBLE POROUS CRYSTALLINE HYBRID SOLID FOR THE SEPARATION OF MIXTURES OF MOLECULES HAVING DIFFERENT DEGREES AND/OR A DIFFERENT NUMBER OF UNSATURATIONS SORBS1, MRPS23, CTCF TRPA1 379/4885KMT2A 2905/4885NPC1 840/4885

“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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