SCHEMBL4414481

SCHEMBL4414481

O=CC(=NO)c1ccc(F)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 3/20 0.40
▸ TAS1R1 Q7RTX1 3/20 0.40
▸ TAS1R2 Q8TE23 3/20 0.40
▸ TRPA1 O75762 1/20 0.39
▸ KCNQ3 O43525 1/20 0.38
▸ KCNQ2 O43526 1/20 0.38
▸ KCNE1 P15382 1/20 0.38
▸ KCNQ1 P51787 1/20 0.38
▸ IDO1 P14902 2/20 0.37
▸ MAOB P27338 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ MDM2 Q00987 1/20 0.35

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
SCHEMBL11369510 0.84 TSHR (0.48) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL5469786 0.77 CES2 (0.44) TRPA1MAPTALDH1A1NPSR1
SCHEMBL13596495 0.77 NPC1 (0.44) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL5799966 0.74 KCNQ3 (0.42) TAS1R3TAS1R1TAS1R2TRPA1KCNQ3
SCHEMBL5799965 0.74 KCNQ3 (0.42) TAS1R3TAS1R1TAS1R2TRPA1KCNQ3
SCHEMBL5464534 0.74 CES2 (0.44) TRPA1NPC1RAB9AMEN1MAPT
SCHEMBL5526283 0.73 KDM1A (0.45) TRPA1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL642008 0.73 KDM1A (0.45) TRPA1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL642009 0.73 KDM1A (0.45) TRPA1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL4414468 0.72 NPC1 (0.41) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2

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-20090318456-A1 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-12-24 — — US disclosed
WO-2008003149-A2 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES , INC. (US) 2008-01-10 — — WO 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-20090318456-A1 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HAVCR2, TYMP, HCCS TAS1R3 2732/4885TAS1R1 2731/4885TAS1R2 3067/4885

“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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