SCHEMBL20828263

SCHEMBL20828263

Cc1[nH]c(=S)[nH]c(=O)c1Cc1ccc(CC(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
NPSR1 Q6W5P4 1/20 0.70
ERAP1 Q9NZ08 1/20 0.47
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.37
KDM4A O75164 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL11448238 0.82 ALDH1A1 (0.61) ALDH1A1NPSR1ERAP1KDM4ELMNA
SCHEMBL3810225 0.82 ALDH1A1 (0.61) ALDH1A1NPSR1ERAP1KDM4EGAA
SCHEMBL1888814 0.81 ALDH1A1 (0.60) ALDH1A1NPSR1ERAP1KDM4ELMNA
SCHEMBL2257545 0.78 MEN1 (0.44) ALDH1A1NPSR1LMNAHSD17B10MAPT
SCHEMBL20828264 0.73 ALDH1A1 (0.59) ALDH1A1NPSR1ERAP1KDM4ELMNA
SCHEMBL11449106 0.68 ALDH1A1 (0.65) ALDH1A1NPSR1KDM4ELMNANPC1
SCHEMBL1268469 0.68 MEN1 (0.43) ALDH1A1NPSR1GAALMNAMAPT
SCHEMBL8120565 0.67 PTGS1 (0.50) ALDH1A1LMNAMAPTMEN1POLB
SCHEMBL4978570 0.65 KDM4E (0.68) ALDH1A1NPSR1KDM4ELMNANPC1
SCHEMBL20828256 0.65 TYMP (0.65) ALDH1A1KDM4ELMNAHSD17B10

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-20200270216-A1 COMPOSITIONS AND METHODS FOR INHIBITING N-SMASE2 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-27 US disclosed
WO-2019055832-A1 COMPOSITIONS AND METHODS FOR INHIBITING N-SMASE2 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-03-21 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-20200270216-A1 COMPOSITIONS AND METHODS FOR INHIBITING N-SMASE2 SMN1; SMN2, PSEN2, SMPD2 ALDH1A1 3977/4885NPSR1 4218/4885ERAP1 1362/4885

“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.