SCHEMBL5199932

SCHEMBL5199932

Cc1cccc(-c2ccn(-c3cccc(C(=O)O)c3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GRM5 P41594 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
RPA1 P27694 1/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
USP2 O75604 1/20 0.47
MYC P01106 1/20 0.47
POLB P06746 1/20 0.47
HSPA1A P0DMV8 1/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL182019 0.96 MEN1 (0.59) MEN1KMT2AGRM5L3MBTL1RPA1
SCHEMBL182136 0.92 KEAP1 (0.51) MEN1KMT2AL3MBTL1RPA1ALDH1A1
SCHEMBL181938 0.88 MEN1 (0.49) MEN1KMT2AGRM5L3MBTL1ALDH1A1
SCHEMBL181817 0.88 ALDH1A1 (0.49) MEN1KMT2AGRM5L3MBTL1ALDH1A1
SCHEMBL27824806 0.87 KMO (0.59) MEN1KMT2AL3MBTL1ALDH1A1NPC1
SCHEMBL181928 0.87 HTT (0.52) MEN1KMT2AGRM5L3MBTL1RPA1
SCHEMBL182162 0.86 KMO (0.53) GRM5RPA1ALDH1A1NPC1RAB9A
SCHEMBL2710273 0.85 KMO (0.49) MEN1KMT2AGRM5L3MBTL1ALDH1A1
SCHEMBL17125349 0.85 TP53 (0.53) GRM5L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL181774 0.85 GRM5 (0.47) MEN1KMT2AGRM5L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 US disclosed
EP-1799207-A2 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC Therapeutics, Inc. (US) 2007-06-27 EP disclosed
WO-2006044502-A2 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2006-04-27 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-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES UPF1, RNMT, VHL MEN1 3684/4885KMT2A 1501/4885GRM5 1818/4885

“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.