SCHEMBL16629557

SCHEMBL16629557

CCc1ccc2cc(C)c(Cl)c(C)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 1/20 0.35
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
CCR1 P32246 2/20 0.31
KDM4E B2RXH2 2/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL18015810 0.77 PARP1 (0.42) PARP1MAPTPDE4APDE4BPDE4C
SCHEMBL15581732 0.70 CCR1 (0.56) PARP1TSHRPDE3AMAPTPDE4A
SCHEMBL30833379 0.70 CCR1 (0.56) PARP1TSHRPDE3AMAPTPDE4A
SCHEMBL20110642 0.69 ALDH1A1 (0.35) PARP1TSHRALDH1A1PDE4APDE4B
SCHEMBL16284371 0.68 PARP1 (0.45) PARP1PDE4APDE4BPDE4CPDE4D
SCHEMBL17179170 0.67 PARP1 (0.56) PARP1KMT2AMEN1TSHRPDE3B
SCHEMBL13826732 0.66 CCR1 (0.65) PARP1KMT2AMEN1CCR1KDM4E
SCHEMBL19236391 0.66 MAPT (0.51) PARP1KMT2AMEN1TSHRALDH1A1
SCHEMBL13010265 0.66 PARP1 (0.54) PARP1CCR1NPC1RAB9A
SCHEMBL24162272 0.66 PARP1 (0.40) PARP1KMT2ATSHRPDE3AALDH1A1

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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
WO-2015049616-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2015-04-09 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 PARP1 863/4885KMT2A 3843/4885MEN1 3008/4885

“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.