SCHEMBL16619764

SCHEMBL16619764

FC(F)(F)c1ccc2occ(CBr)c2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ EPHX2 P34913 2/20 0.38
▸ MTNR1B P49286 1/20 0.37
▸ PPARD Q03181 3/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ MAOB P27338 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ PPARG P37231 1/20 0.34

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
SCHEMBL17107455 0.83 MAOB (0.44) TP53MAPTSMN1; SMN2EPHX2MTNR1B
SCHEMBL21116465 0.83 TP53 (0.46) TP53MAPTSMN1; SMN2EPHX2MTNR1B
SCHEMBL21116466 0.81 TP53 (0.46) TP53MAPTSMN1; SMN2EPHX2MTNR1B
SCHEMBL18014739 0.81 TP53 (0.41) TP53MAPTSMN1; SMN2EPHX2MTNR1B
SCHEMBL18015849 0.81 MTNR1A (0.45) TP53MAPTSMN1; SMN2MTNR1BHTR1A
SCHEMBL9844197 0.75 PTPN1 (0.47) MAPTSMN1; SMN2HTR1AHTR1DHTR2C
SCHEMBL29592044 0.75 PTPN1 (0.47) MAPTSMN1; SMN2HTR1AHTR1DHTR2C
SCHEMBL17324189 0.74 MTNR1A (0.40) TP53MAPTSMN1; SMN2MTNR1BPPARD
SCHEMBL30956100 0.74 TP53 (0.40) TP53MAPTSMN1; SMN2MTNR1BPPARD
SCHEMBL20274083 0.74 EPHX2 (0.41) TP53MAPTSMN1; SMN2EPHX2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110035993-A SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS 艾伯维公司 2019-07-19 — — CN disclosed
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 — — EP 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

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 TP53 2499/4885MAPT 358/4885SMN1; SMN2 1127/4885

“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.

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