SCHEMBL31700780

SCHEMBL31700780

O=C(O)c1ccc(/N=N/c2ccc3cc(C(=O)O)ccc3c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.62
CD69 Q07108 1/20 0.54
KMT2A Q03164 8/20 0.53
MEN1 O00255 7/20 0.53
NPC1 O15118 5/20 0.53
POLB P06746 4/20 0.53
MAPT P10636 5/20 0.51
TDP1 Q9NUW8 3/20 0.51
ATM Q13315 1/20 0.51
KDM4E B2RXH2 2/20 0.50
RAB9A P51151 4/20 0.47
HSP90AA1 P07900 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 4/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 3/20 0.45

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
SCHEMBL31700912 0.96 TRPA1 (0.67) TRPA1CD69KMT2AMEN1NPC1
SCHEMBL31702327 0.90 TRPA1 (0.64) TRPA1CD69KMT2AMEN1NPC1
SCHEMBL31702246 0.83 TRPA1 (0.86) TRPA1CD69KMT2AMEN1NPC1
SCHEMBL3364649 0.83 TRPA1 (0.86) TRPA1CD69KMT2AMEN1NPC1
SCHEMBL70162 0.83 TRPA1 (0.86) TRPA1CD69KMT2AMEN1NPC1
SCHEMBL70163 0.83 TRPA1 (0.86) TRPA1CD69KMT2AMEN1NPC1
Terephthalic Acid SCHEMBL2846917 0.83 TSHR (0.67) KMT2AMEN1POLBMAPTKDM4E
SCHEMBL28611366 0.81 TRPA1 (0.82) TRPA1CD69KMT2AMEN1NPC1
SCHEMBL29163841 0.81 TRPA1 (0.82) TRPA1CD69KMT2AMEN1NPC1
SCHEMBL28018294 0.81 TRPA1 (0.82) TRPA1CD69KMT2AMEN1NPC1

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-20250320236-A1 METAL ORGANIC FRAMEWORKS (MOFs) AND METHODS OF USE CONWAY DAVID JONATHAN (US) 2025-10-16 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-20250320236-A1 METAL ORGANIC FRAMEWORKS (MOFs) AND METHODS OF USE OGFOD1, OCIAD1, MLYCD TRPA1 234/4885CD69 1392/4885KMT2A 1299/4885

“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.