SCHEMBL4414468

SCHEMBL4414468

O=C(/C=N/O)c1ccc(F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KCNQ3 O43525 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41
▸ KCNE1 P15382 1/20 0.41
▸ KCNQ1 P51787 1/20 0.41
▸ TAS1R3 Q7RTX0 3/20 0.40
▸ TAS1R1 Q7RTX1 3/20 0.40
▸ TAS1R2 Q8TE23 3/20 0.40
▸ MAOB P27338 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ MDM2 Q00987 1/20 0.38
▸ TSHR P16473 1/20 0.37

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
SCHEMBL4414474 1.00 NPC1 (0.41) NPC1RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL11369513 0.84 TSHR (0.53) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL13596495 0.80 NPC1 (0.44) NPC1RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL8420807 0.77 CES2 (0.50) NPC1RAB9AMAOBMAPTTSHR
SCHEMBL5469788 0.77 CES2 (0.50) NPC1RAB9AMAOBMAPTTSHR
SCHEMBL10399614 0.75 SRD5A2 (0.53) NPC1RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL3170407 0.75 CES2 (0.64) NPC1RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL2904740 0.75 ALDH1A1 (0.54) MAOBMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL2904745 0.75 ALDH1A1 (0.54) MAOBMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL30345150 0.75 ALDH1A1 (0.47) NPC1RAB9AKCNQ3KCNQ2KCNE1

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 5 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
US-20090318456-A1 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-12-24 — — US disclosed
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
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 NPC1 878/4885RAB9A 2464/4885KCNQ3 3872/4885

“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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