SCHEMBL15946406

SCHEMBL15946406

OC(O)(O)c1ccc2[nH]c(-c3ccccc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.57
▸ RAB9A P51151 5/20 0.57
▸ GAA P10253 2/20 0.57
▸ NPBWR1 P48145 1/20 0.56
▸ DGAT1 O75907 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ HDAC6 Q9UBN7 2/20 0.51
▸ KDM4E B2RXH2 7/20 0.49
▸ ALDH1A1 P00352 7/20 0.49
▸ HPGD P15428 6/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ TP53 P04637 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ RCE1 Q9Y256 1/20 0.49
▸ MEN1 O00255 1/20 0.49

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
SCHEMBL30615051 0.84 NPBWR1 (0.78) NPC1RAB9AGAANPBWR1DGAT1
SCHEMBL29091542 0.84 NPBWR1 (0.78) NPC1RAB9AGAANPBWR1DGAT1
SCHEMBL13118022 0.84 HDAC6 (0.68) NPC1RAB9AGAANPBWR1DGAT1
Ammonia Solution, Strong SCHEMBL2446708 0.83 HDAC6 (0.66) NPC1RAB9AGAANPBWR1DGAT1
SCHEMBL15245160 0.82 DGAT1 (0.79) NPC1RAB9AGAANPBWR1DGAT1
SCHEMBL2324234 0.79 NPC1 (0.62) NPC1RAB9AGAANPBWR1HDAC6
SCHEMBL10576078 0.79 HDAC6 (0.52) NPC1RAB9AGAANPBWR1DGAT1
SCHEMBL22649095 0.78 NPC1 (0.67) NPC1RAB9AGAANPBWR1DGAT1
SCHEMBL3132123 0.76 NPC1 (0.68) NPC1RAB9AGAANPBWR1DGAT1
SCHEMBL2091998 0.76 NPC1 (0.62) NPC1RAB9AGAANPBWR1HDAC6

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-20140227207-A1 COSMETIC COMPOSITIONS CONTAINING SUBSTITUTED AZOLE AND METHODS FOR ALLEVIATING THE SIGNS OF PHOTOAGED SKIN THE PROCTER & GAMBLE COMPANY (US) 2014-08-14 — — 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-20140227207-A1 COSMETIC COMPOSITIONS CONTAINING SUBSTITUTED AZOLE AND METHODS FOR ALLEVIATING THE SIGNS OF PHOTOAGED SKIN TYR, CUTA, CDKN1A NPC1 3494/4885RAB9A 4463/4885GAA 1079/4885

“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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