SCHEMBL16879519

SCHEMBL16879519

O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(Br)cc1F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.52
▸ RIPK1 Q13546 5/20 0.49
▸ RIPK3 Q9Y572 2/20 0.47
▸ GLS O94925 4/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ P2RY14 Q15391 1/20 0.46
▸ NLRP3 Q96P20 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ BRAF P15056 1/20 0.45

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
SCHEMBL19098423 0.80 NPC1 (0.71) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL16879071 0.79 GLS (0.43) RIPK1RIPK3GLSP2RY14NLRP3
SCHEMBL16879523 0.79 GLS (0.49) RIPK1RIPK3GLSNLRP3
SCHEMBL16879170 0.79 MEN1 (0.54) GLSBRAF
SCHEMBL16879484 0.78 GLS (0.50) GLSP2RY14NLRP3BRAF
SCHEMBL16887499 0.78 RIPK1 (0.43) RIPK1RIPK3GLSP2RY14NLRP3
SCHEMBL21981021 0.76 AOC2 (0.51) GLSP2RY14NLRP3BRAF
SCHEMBL14458160 0.76 POLB (0.52) NPC1RAB9ALMNAALDH1A1GAA
SCHEMBL16879527 0.76 GLS (0.52) GLSP2RY14
SCHEMBL29349722 0.75 GLS (0.60) GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112920180-A Glutaminase inhibitors 理森制药股份公司 2021-06-08 — — CN disclosed
CN-105960405-B Glutaminase inhibitors 理森制药股份公司 2021-02-19 — — CN disclosed
EP-3092235-A2 NOVEL INHIBITORS OF GLUTAMINASE Rhizen Pharmaceuticals S.A. (CH) 2016-11-16 — — EP disclosed
US-20160297761-A1 NOVEL INHIBITORS OF GLUTAMINASE RHIZEN PHARMACEUTICALS AG (CH) 2016-10-13 — — US disclosed
US-20160297761-A1 NOVEL INHIBITORS OF GLUTAMINASE RHIZEN PHARMACEUTICALS AG (CH) 2016-10-13 — — US disclosed
US-20160297761-A1 NOVEL INHIBITORS OF GLUTAMINASE RHIZEN PHARMACEUTICALS AG (CH) 2016-10-13 — — US disclosed
CN-105960405-A glutaminase inhibitors 理森制药股份公司 2016-09-21 — — CN disclosed
WO-2015101958-A2 NOVEL INHIBITORS OF GLUTAMINASE RHIZEN PHARMACEUTICALS SA (CH) 2015-07-09 — — 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-20160297761-A1 NOVEL INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL NPC1 878/4885RIPK1 2126/4885RIPK3 2079/4885

“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.

Send feedback