SCHEMBL1671832

SCHEMBL1671832

COc1nc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1-n1cnc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
PSEN1 P49768 8/20 0.47
PSEN2 P49810 8/20 0.47
APH1B Q8WW43 8/20 0.47
NCSTN Q92542 8/20 0.47
APH1A Q96BI3 8/20 0.47
PSENEN Q9NZ42 8/20 0.47
NR2E1 Q9Y466 1/20 0.44
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
P2RX7 Q99572 1/20 0.41
EPHX2 P34913 3/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
NLRP1 Q9C000 1/20 0.41

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
SCHEMBL11902206 0.86 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6919937 0.85 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6919157 0.83 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6855945 0.80 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL155825 0.79 P2RX7 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11901742 0.78 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11902240 0.78 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL194977 0.78 P2RX7 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852517 0.77 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6920205 0.76 PSEN1 (0.71) TSHRPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491026-A1 NOVEL HETEROARYL IMIDAZOLES AND HETEROARYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2012-08-29 EP claimed
US-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators PFIZER INC. 2012-08-09 US claimed
WO-2011048525-A1 NOVEL HETEROARYL IMIDAZOLES AND HETEROARYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2011-04-28 WO claimed
US-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators PFIZER INC. 2012-08-09 US disclosed
US-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators PFIZER INC. 2012-08-09 US disclosed
US-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators PFIZER INC. 2012-08-09 US disclosed
WO-2011048525-A1 NOVEL HETEROARYL IMIDAZOLES AND HETEROARYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2011-04-28 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-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, GSAP TSHR 3392/4885PSEN1 7/4885PSEN2 8/4885

“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.