SCHEMBL18177319

SCHEMBL18177319

CCc1c(C)sc(NC(=O)c2ccoc2C)c1C(N)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 1.00
▸ POLB P06746 3/20 0.63
▸ ALDH1A1 P00352 14/20 0.61
▸ HPGD P15428 11/20 0.61
▸ KDM4E B2RXH2 8/20 0.61
▸ MAPT P10636 9/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ GAA P10253 2/20 0.60
▸ HSD17B10 Q99714 7/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ USP2 O75604 4/20 0.58
▸ ALOX15 P16050 3/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ GFER P55789 1/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ TSHR P16473 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ XBP1 P17861 1/20 0.57

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 0.79 ALDH1A1 (0.66) PKMALDH1A1HPGDKDM4EMAPT
SCHEMBL12632684 0.78 ALDH1A1 (0.68) PKMALDH1A1HPGDKDM4EMAPT
SCHEMBL14825171 0.77 PKM (0.63) PKMPOLBALDH1A1HPGDKDM4E
SCHEMBL26296197 0.74 CYP1A2 (0.71) PKMALDH1A1HPGDKDM4EMAPT
SCHEMBL18177318 0.73 ALDH1A1 (0.84) PKMALDH1A1HPGDMAPTNPC1
SCHEMBL14305225 0.72 ALDH1A1 (0.63) PKMPOLBALDH1A1HPGDKDM4E
SCHEMBL10036547 0.70 ALDH1A1 (1.00) PKMPOLBALDH1A1HPGDKDM4E
SCHEMBL29725974 0.69 CNR2 (0.60) PKMALDH1A1HPGDKDM4EMAPT
SCHEMBL34468119 0.68 TSHR (0.66) PKMPOLBALDH1A1HPGDNPC1
SCHEMBL17817446 0.68 CYP1A2 (0.61) PKMPOLBALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PKM 1024/4885POLB 1599/4885ALDH1A1 54/4885

“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.

Send feedback