SCHEMBL20734754

SCHEMBL20734754

CCSCc1nc2ccccc2nc1CSCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 6/20 0.47
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 3/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TXN P10599 1/20 0.37
FBP1 P09467 1/20 0.37
NQO2 P16083 1/20 0.37
HPGD P15428 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL19937141 0.77 MAPT (0.46) ALDH1A1KDM4EMAPTMAPK1POLB
SCHEMBL2491027 0.74 KDM4E (0.53) ALDH1A1KDM4EMAPTMAPK1POLB
Ammonia Solution, Strong SCHEMBL28585108 0.72 KDM4E (0.52) ALDH1A1KDM4EMAPTMAPK1POLB
SCHEMBL19841674 0.70 NPC1 (0.34) ALDH1A1KDM4EMAPTHSD17B10TP53
Hydrochloric Acid SCHEMBL28608867 0.70 KDM4E (0.50) ALDH1A1KDM4EMAPTMAPK1POLB
SCHEMBL29853858 0.70 CYP1A2 (0.41) ALDH1A1KDM4EMAPTHSD17B10TP53
SCHEMBL4645832 0.70 CYP1A2 (0.41) ALDH1A1KDM4EMAPTHSD17B10TP53
SCHEMBL27851831 0.70 KDM4E (0.54) ALDH1A1KDM4EMAPTHSD17B10NQO2
SCHEMBL19817098 0.69 HDAC6 (0.41) ALDH1A1KDM4EMAPTMAPK1HSD17B10
SCHEMBL22342230 0.69 MAPT (0.37) ALDH1A1KDM4EMAPTMAPK1POLB

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-20200255478-A1 NOVEL COMPOUNDS ACTIVATING THE NRF2 PATHWAY ALMIRALL SA (ES) 2020-08-13 US disclosed
WO-2019030298-A1 NOVEL COMPOUNDS ACTIVATING THE NRF2 PATHWAY ALMIRALL, S.A. (ES) 2019-02-14 WO 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-20200255478-A1 NOVEL COMPOUNDS ACTIVATING THE NRF2 PATHWAY KEAP1, NFE2L2, HMOX1 ALDH1A1 2164/4885KDM4E 4679/4885MAPT 2589/4885

“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.