SCHEMBL4185773

SCHEMBL4185773

O=C(/C=C\c1cccnc1)Nc1ccccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM2 O94759 1/20 0.64
▸ LTB4R Q15722 1/20 0.64
▸ TRPA1 O75762 6/20 0.62
▸ TRPM8 Q7Z2W7 3/20 0.62
▸ NPC1 O15118 6/20 0.61
▸ RAB9A P51151 6/20 0.61
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ MAPT P10636 3/20 0.58
▸ NAMPT P43490 3/20 0.58
▸ TRPV1 Q8NER1 1/20 0.57
▸ HDAC1 Q13547 1/20 0.56
▸ KDM4E B2RXH2 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ TP53 P04637 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ HIF1A Q16665 2/20 0.55
▸ CYP2C9 P11712 2/20 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
SCHEMBL30387813 1.00 TRPM2 (0.64) TRPM2LTB4RTRPA1TRPM8NPC1
SCHEMBL13320663 1.00 TRPM2 (0.64) TRPM2LTB4RTRPA1TRPM8NPC1
SCHEMBL4185775 1.00 TRPM2 (0.64) TRPM2LTB4RTRPA1TRPM8NPC1
SCHEMBL27866517 0.88 BTK (0.56) TRPM2LTB4RNPC1RAB9AMAPT
SCHEMBL294402 0.86 TRPM2 (0.83) TRPM2LTB4RTRPA1TRPM8NPC1
SCHEMBL294403 0.86 TRPM2 (0.83) TRPM2LTB4RTRPA1TRPM8NPC1
SCHEMBL13320712 0.85 TRPM2 (0.72) TRPM2LTB4RTRPA1TRPM8NPC1
SCHEMBL25722340 0.83 HDAC1 (0.77) NPC1RAB9AMAPTNAMPTTRPV1
SCHEMBL13352236 0.83 MMP1 (0.72) NPC1RAB9AMAPTNAMPTTRPV1
SCHEMBL25722352 0.83 NPC1 (0.59) NPC1RAB9AMAPTNAMPTTRPV1

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-20090124669-A1 Structural Analogues of Avenanthramides, Their Use in Compositions Useful in the Treatment of Dermatological Disorders RELIVIA S.R.L 2009-05-14 — — US claimed

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-20090124669-A1 Structural Analogues of Avenanthramides, Their Use in Compositions Useful in the Treatment of Dermatological Disorders OAT, HLA-DRB1, CUTA TRPM2 2302/4885LTB4R 689/4885TRPA1 3855/4885

“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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