SCHEMBL18177318

SCHEMBL18177318

CCc1c(C)sc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1C(N)=O

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.84
▸ MAPT P10636 4/20 0.84
▸ PKM P14618 1/20 0.58
▸ NPC1 O15118 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ CYP1A2 P05177 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ DHODH Q02127 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PDE4B Q07343 4/20 0.49
▸ PDE4D Q08499 4/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ GLA P06280 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
SCHEMBL18180849 0.85 ALDH1A1 (0.66) ALDH1A1MAPTPKMNPC1GAA
SCHEMBL12632684 0.75 ALDH1A1 (0.68) ALDH1A1MAPTPKMNPC1GAA
SCHEMBL1805930 0.71 TSHR (0.72) ALDH1A1MAPTNPC1GAAHPGD
SCHEMBL18104300 0.71 MEN1 (0.77) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL28876280 0.70 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL14825171 0.70 PKM (0.63) ALDH1A1MAPTPKMNPC1GAA
SCHEMBL31665418 0.70 KMT2A (0.61) ALDH1A1MAPTPKMNPC1HPGD
SCHEMBL27602570 0.69 TSHR (0.68) ALDH1A1MAPTNPC1HPGDRAB9A
SCHEMBL18120561 0.68 DHODH (1.00) ALDH1A1MAPTPKMNPC1GAA
SCHEMBL25054248 0.66 KMT2A (0.69) GAAKMT2AMEN1DHODHLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016172545-A1 CASTRATION-RESISTANT PROSTATE CANCER NUTECH VENTURES (US) 2016-10-27 — — WO disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 — — US disclosed
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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