SCHEMBL18180849

SCHEMBL18180849

CCc1c(C)sc(NC(=O)c2cccc(C)c2C)c1C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.66
▸ MAPT P10636 7/20 0.66
▸ PKM P14618 1/20 0.65
▸ HPGD P15428 8/20 0.63
▸ RAB9A P51151 4/20 0.63
▸ NPC1 O15118 3/20 0.63
▸ GAA P10253 1/20 0.63
▸ CYP1A2 P05177 1/20 0.56
▸ KDM4E B2RXH2 7/20 0.53
▸ SMN1; SMN2 Q16637 7/20 0.52
▸ LMNA P02545 2/20 0.52
▸ FLT3 P36888 1/20 0.48
▸ HSD17B10 Q99714 4/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ CASP1 P29466 3/20 0.47
▸ CASP7 P55210 3/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ TSHR P16473 1/20 0.47
▸ BAP1 Q92560 1/20 0.47

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
SCHEMBL18177318 0.85 ALDH1A1 (0.84) ALDH1A1MAPTPKMHPGDRAB9A
SCHEMBL12632684 0.80 ALDH1A1 (0.68) ALDH1A1MAPTPKMHPGDRAB9A
SCHEMBL18177319 0.79 PKM (1.00) ALDH1A1MAPTPKMHPGDRAB9A
SCHEMBL14825171 0.75 PKM (0.63) ALDH1A1MAPTPKMHPGDRAB9A
SCHEMBL14305225 0.74 ALDH1A1 (0.63) ALDH1A1MAPTPKMHPGDRAB9A
SCHEMBL26296197 0.74 CYP1A2 (0.71) ALDH1A1MAPTPKMHPGDRAB9A
SCHEMBL7002469 0.71 ALDH1A1 (0.60) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL7007163 0.71 MAPT (0.65) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL4140802 0.71 KMT2A (0.56) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL8288650 0.70 ALDH1A1 (0.68) ALDH1A1MAPTHPGDRAB9ANPC1

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-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 — — 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-20160310528-A1 Castration-Resistant Prostate Cancer UGDH, G6PD, DPYD ALDH1A1 54/4885MAPT 2722/4885PKM 1024/4885

“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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