SCHEMBL3364649

SCHEMBL3364649

O=C(O)c1ccc(/N=N\c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.86
NPC1 O15118 4/20 0.69
POLB P06746 3/20 0.69
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
TSHR P16473 3/20 0.67
TP53 P04637 1/20 0.67
CD69 Q07108 1/20 0.64
MAPT P10636 5/20 0.60
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
TDP1 Q9NUW8 3/20 0.60
CA12 O43570 2/20 0.60
CA9 Q16790 2/20 0.60
ATM Q13315 1/20 0.60
GAA P10253 3/20 0.59
SRD5A2 P31213 1/20 0.57
RAB9A P51151 3/20 0.57
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57

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
SCHEMBL31702246 1.00 TRPA1 (0.86) TRPA1NPC1POLBKMT2AMEN1
SCHEMBL70162 1.00 TRPA1 (0.86) TRPA1NPC1POLBKMT2AMEN1
SCHEMBL70163 1.00 TRPA1 (0.86) TRPA1NPC1POLBKMT2AMEN1
SCHEMBL29163841 0.97 TRPA1 (0.82) TRPA1NPC1POLBKMT2AMEN1
SCHEMBL28611366 0.97 TRPA1 (0.82) TRPA1NPC1POLBKMT2AMEN1
SCHEMBL28018222 0.97 TRPA1 (0.82) TRPA1NPC1POLBKMT2AMEN1
SCHEMBL28018294 0.97 TRPA1 (0.82) TRPA1NPC1POLBKMT2AMEN1
SCHEMBL20307199 0.93 TRPA1 (1.00) TRPA1NPC1POLBKMT2AMEN1
SCHEMBL168297 0.93 TRPA1 (1.00) TRPA1NPC1POLBKMT2AMEN1
SCHEMBL384410 0.93 TRPA1 (1.00) TRPA1NPC1POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9326930-B2 Calcium sequestration compositions and methods of treating skin pigmentation disorders and conditions NEOCUTIS S.A. (CH) 2016-05-03 US disclosed
US-20160030321-A1 CALCIUM SEQUESTRATION COMPOSITIONS AND METHODS OF TREATING SKIN PIGMENTATION DISORDERS AND CONDITIONS NEOCUITIS S A (CH) 2016-02-04 US disclosed
US-20100189795-A1 CALCIUM SEQUESTRATION COMPOSITIONS AND METHODS OF TREATING SKIN PIGMENTATION DISORDERS AND CONDITIONS NEOCUTIS S.A. (CH) 2010-07-29 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 (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-20100189795-A1 CALCIUM SEQUESTRATION COMPOSITIONS AND METHODS OF TREATING SKIN PIGMENTATION DISORDERS AND CONDITIONS S100A4, TYR, CACYBP TRPA1 793/4885NPC1 840/4885POLB 3521/4885
US-20160030321-A1 CALCIUM SEQUESTRATION COMPOSITIONS AND METHODS OF TREATING SKIN PIGMENTATION DISORDERS AND CONDITIONS S100A4, TYR, CACYBP TRPA1 793/4885NPC1 840/4885POLB 3521/4885

“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.