SCHEMBL1764528

SCHEMBL1764528

Cc1nc(-c2ccc(C)c(C)c2)cs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.64
RECQL P46063 3/20 0.64
ALDH1A1 P00352 3/20 0.64
MAPT P10636 3/20 0.64
KDM4E B2RXH2 2/20 0.64
POLB P06746 2/20 0.64
HPGD P15428 2/20 0.64
ESR2 Q92731 1/20 0.64
TSHR P16473 1/20 0.57
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HSD17B10 Q99714 1/20 0.57
ROCK2 O75116 1/20 0.55
PIM1 P11309 1/20 0.55
GSK3B P49841 1/20 0.55
AURKB Q96GD4 1/20 0.55
GFER P55789 1/20 0.55
HTT P42858 2/20 0.51
PTGS2 P35354 1/20 0.51

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
SCHEMBL10242015 0.84 GAA (0.78) GAARECQLALDH1A1MAPTKDM4E
SCHEMBL8256648 0.84 GAA (0.58) GAARECQLALDH1A1MAPTKDM4E
SCHEMBL1765099 0.84 ALDH1A1 (0.58) GAARECQLALDH1A1MAPTKDM4E
SCHEMBL3346281 0.84 RECQL (0.61) GAARECQLALDH1A1MAPTKDM4E
SCHEMBL9435249 0.84 MAPT (0.63) GAARECQLALDH1A1MAPTKDM4E
SCHEMBL28673241 0.83 PTGS2 (0.50) GAARECQLALDH1A1MAPTKDM4E
SCHEMBL7236001 0.83 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EPOLBHPGD
SCHEMBL19625309 0.80 PTGS2 (0.48) GAARECQLALDH1A1MAPTKDM4E
SCHEMBL21230568 0.80 GAA (0.53) GAARECQLALDH1A1MAPTKDM4E
SCHEMBL24617750 0.79 RAB9A (0.57) GAARECQLALDH1A1MAPTKDM4E

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
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
US-8288435-B2 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-26 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 (2 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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 GAA 4553/4885RECQL 1370/4885ALDH1A1 1166/4885
US-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CNR1 GAA 3257/4885RECQL 2808/4885ALDH1A1 807/4885

“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.