SCHEMBL18014690

SCHEMBL18014690

CC(C)(C)Cc1csc(-c2ccccc2Cl)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
KDM4E B2RXH2 4/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
CCR4 P51679 1/20 0.44
CYP19A1 P11511 1/20 0.43
NPC1 O15118 2/20 0.42
HTR2C P28335 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
SHMT1 P34896 2/20 0.40
ADORA1 P30542 1/20 0.39
PPARG P37231 1/20 0.39
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL18014797 0.88 ALDH1A1 (0.51) ALDH1A1L3MBTL1TDP1KDM4EHPGD
SCHEMBL18014691 0.85 L3MBTL1 (0.63) ALDH1A1L3MBTL1TDP1KDM4EHPGD
SCHEMBL18015824 0.82 ALDH1A1 (0.73) ALDH1A1L3MBTL1TDP1KDM4EHPGD
SCHEMBL2431805 0.80 ALDH1A1 (1.00) ALDH1A1L3MBTL1TDP1KDM4EHPGD
SCHEMBL18015816 0.79 L3MBTL1 (0.69) ALDH1A1L3MBTL1TDP1KDM4EHPGD
SCHEMBL10025207 0.79 KDM4E (0.54) KDM4EHPGDLMNAMAPTCCR4
SCHEMBL5895082 0.79 ALDH1A1 (0.73) ALDH1A1L3MBTL1TDP1KDM4EHPGD
SCHEMBL16619009 0.79 ALDH1A1 (0.73) ALDH1A1L3MBTL1TDP1KDM4EHPGD
SCHEMBL21115997 0.78 ALDH1A1 (0.67) ALDH1A1L3MBTL1TDP1KDM4EHPGD
SCHEMBL18014768 0.77 NPSR1 (0.44) ALDH1A1L3MBTL1TDP1CNR1CNR2

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 1923/4885L3MBTL1 4677/4885TDP1 860/4885

“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.