SCHEMBL16619192

SCHEMBL16619192

OCCNCc1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
CA12 O43570 5/20 0.48
CA2 P00918 5/20 0.48
POLB P06746 1/20 0.48
USP28 Q96RU2 1/20 0.47
USP25 Q9UHP3 1/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CA9 Q16790 4/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MPO P05164 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
RIPK1 Q13546 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL4716056 0.89 CA12 (0.52) ALDH1A1CA12CA2POLBCA9
SCHEMBL17400756 0.85 CA12 (0.56) ALDH1A1CA12CA2CA9TSHR
SCHEMBL20962611 0.85 ALDH1A1 (0.59) ALDH1A1CA12CA2USP28USP25
SCHEMBL2991548 0.83 HTR2A (0.48) ALDH1A1CA12CA2USP28USP25
SCHEMBL11235784 0.80 TAAR1 (0.55) CA12CA2POLBCA9TSHR
SCHEMBL21674165 0.80 TAAR1 (0.50) ALDH1A1CA12CA2POLBCA9
SCHEMBL1436928 0.78 CA12 (0.80) CA12CA2CA9TSHRKDM4E
SCHEMBL29566183 0.78 CA12 (0.80) CA12CA2CA9TSHRKDM4E
SCHEMBL9097242 0.78 CHRM2 (0.66) ALDH1A1CA12CA2LMNASMN1; SMN2
SCHEMBL7797848 0.77 LMNA (0.47) ALDH1A1POLBLMNASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
WO-2018109642-A1 N-ARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-21 WO disclosed
WO-2017060854-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 WO disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
EP-3052495-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2016-08-10 EP disclosed
WO-2015049616-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2015-04-09 WO 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 ALDH1A1 1923/4885CA12 4484/4885CA2 3464/4885

“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.