SCHEMBL18014797

SCHEMBL18014797

CC(C)(C)Cc1csc(-c2cccc(Cl)c2Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HTR2C P28335 6/20 0.45
PANK3 Q9H999 1/20 0.44
TLR7 Q9NYK1 1/20 0.42
CCR4 P51679 1/20 0.42
KDM4E B2RXH2 2/20 0.40
MAPK14 Q16539 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PTPN11 Q06124 1/20 0.37
SHMT1 P34896 1/20 0.36

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
SCHEMBL18014690 0.88 ALDH1A1 (0.67) ALDH1A1TDP1L3MBTL1HTR2CCCR4
SCHEMBL16629847 0.83 ALDH1A1 (0.55) ALDH1A1TDP1L3MBTL1HTR2CPANK3
SCHEMBL22792104 0.75 KDM4E (0.57) ALDH1A1TDP1L3MBTL1HTR2CPANK3
SCHEMBL18014743 0.74 CCR4 (0.43) ALDH1A1TDP1L3MBTL1CCR4KDM4E
SCHEMBL13021103 0.74 GFER (0.66) ALDH1A1TDP1KDM4ECNR1CNR2
SCHEMBL18014691 0.73 L3MBTL1 (0.63) ALDH1A1TDP1L3MBTL1HTR2CKDM4E
SCHEMBL18997338 0.73 ALDH1A1 (0.70) ALDH1A1TDP1CCR4KDM4EHPGD
SCHEMBL10025207 0.73 KDM4E (0.54) CCR4KDM4ECNR1CNR2HPGD
SCHEMBL18014768 0.72 NPSR1 (0.44) ALDH1A1TDP1L3MBTL1CNR1CNR2
SCHEMBL18014794 0.72 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1KDM4ECNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 ALDH1A1 1923/4885TDP1 860/4885L3MBTL1 4677/4885

“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.