SCHEMBL19130596

SCHEMBL19130596

CCCCn1c(-c2ccccc2)c[nH]c1=S

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.71
KDM4E B2RXH2 3/20 0.71
HPGD P15428 6/20 0.68
KMT2A Q03164 3/20 0.68
MAPT P10636 2/20 0.68
HTT P42858 1/20 0.59
HSD17B10 Q99714 1/20 0.59
ALOX12 P18054 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
GAA P10253 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 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
SCHEMBL17446082 0.94 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDKMT2AMAPT
SCHEMBL17446139 0.90 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDKMT2AMAPT
SCHEMBL19130180 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDKMT2AMAPT
SCHEMBL17446072 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDKMT2AMAPT
SCHEMBL17446076 0.79 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDKMT2AMAPT
SCHEMBL28010239 0.76 TSHR (0.61) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL17446219 0.76 ALDH1A1 (0.82) ALDH1A1KDM4EHPGDKMT2AMAPT
SCHEMBL2821098 0.74 NPC1 (0.93) ALDH1A1KDM4EHPGDKMT2AMAPT
SCHEMBL17446255 0.74 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDKMT2AMAPT
SCHEMBL17446081 0.74 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDKMT2AMAPT

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-20170202818-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY OHIO UNIVERSITY (US) 2017-07-20 US disclosed
US-20170202818-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY OHIO UNIVERSITY (US) 2017-07-20 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-20170202818-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY GSK3B, GSK3A, GSKIP ALDH1A1 4476/4885KDM4E 2378/4885HPGD 3262/4885

“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.