SCHEMBL14825171

SCHEMBL14825171

CCc1c(C)sc(NC(=O)c2ccc(C)o2)c1C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.63
▸ ALDH1A1 P00352 11/20 0.61
▸ HPGD P15428 8/20 0.61
▸ MAPT P10636 7/20 0.61
▸ NPC1 O15118 6/20 0.61
▸ RAB9A P51151 6/20 0.61
▸ GAA P10253 1/20 0.61
▸ HSD17B10 Q99714 6/20 0.60
▸ KDM4E B2RXH2 5/20 0.60
▸ TSHR P16473 4/20 0.60
▸ CASP1 P29466 2/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.60
▸ MAPK1 P28482 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ POLB P06746 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ CYP1A2 P05177 1/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ LMNA P02545 2/20 0.50
▸ ALOX15 P16050 1/20 0.48

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
SCHEMBL12632684 0.79 ALDH1A1 (0.68) PKMALDH1A1HPGDMAPTNPC1
SCHEMBL18177319 0.77 PKM (1.00) PKMALDH1A1HPGDMAPTNPC1
SCHEMBL18180849 0.75 ALDH1A1 (0.66) PKMALDH1A1HPGDMAPTNPC1
SCHEMBL26296197 0.74 CYP1A2 (0.71) PKMALDH1A1HPGDMAPTNPC1
SCHEMBL14305225 0.73 ALDH1A1 (0.63) PKMALDH1A1HPGDMAPTNPC1
SCHEMBL15731000 0.72 ALDH1A1 (0.76) PKMALDH1A1HPGDMAPTNPC1
SCHEMBL17817446 0.71 CYP1A2 (0.61) PKMALDH1A1HPGDMAPTNPC1
SCHEMBL18177318 0.70 ALDH1A1 (0.84) PKMALDH1A1HPGDMAPTNPC1
SCHEMBL29725974 0.70 CNR2 (0.60) PKMALDH1A1HPGDMAPTNPC1
SCHEMBL3914253 0.69 ALDH1A1 (0.71) ALDH1A1HPGDMAPTNPC1RAB9A

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-20130085133-A1 ANTI-VIRAL TREATMENT AND ASSAY TO SCREENFOR ANTI-VIRAL AGENT Sourthern Research Institute Office of Commercialization and Intellectual Prop. (US) 2013-04-04 — — 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-20130085133-A1 ANTI-VIRAL TREATMENT AND ASSAY TO SCREENFOR ANTI-VIRAL AGENT MAVS, SNRPE, LONP1 PKM 701/4885ALDH1A1 3082/4885HPGD 785/4885

“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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