SCHEMBL17125380

SCHEMBL17125380

Cc1ccc(-n2cc(-c3cc(C(=O)O)ccc3[N+](=O)[O-])cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
HSP90AA1 P07900 1/20 0.46
RIPK2 O43353 8/20 0.45
CASP6 P55212 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGDS O60760 1/20 0.39
ALKBH2 Q6NS38 1/20 0.39
EP300 Q09472 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCAR3 P49019 1/20 0.39

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
SCHEMBL181762 0.89 MAP4K4 (0.51) TSHRHSP90AA1RIPK2CASP6MEN1
SCHEMBL182382 0.88 MAPKAPK2 (0.54) TSHRHSP90AA1RIPK2MEN1KMT2A
SCHEMBL2710160 0.81 HSP90AA1 (0.53) HSP90AA1HPGDSALKBH2EP300NPC1
SCHEMBL12171486 0.78 MAPKAPK2 (0.54) RIPK2MEN1KMT2AKDM4ENPC1
SCHEMBL182124 0.77 MAP4K4 (0.57) MEN1KMT2AHPGDSALKBH2KDM4E
SCHEMBL182203 0.77 MAP4K4 (0.57) MEN1KMT2AHPGDSALKBH2KDM4E
SCHEMBL182353 0.75 NPC1 (0.60) MEN1KMT2AHPGDSALKBH2KDM4E
SCHEMBL17125408 0.74 CA12 (0.46) RIPK2MEN1KMT2AHPGDSALKBH2
SCHEMBL17130531 0.74 RIPK2 (0.58) RIPK2
SCHEMBL17125374 0.74 HSP90AA1 (0.52) HSP90AA1MEN1KMT2AHPGDSALKBH2

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 1 patent. 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

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 TSHR 2427/4885HSP90AA1 2105/4885RIPK2 2599/4885

“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.