SCHEMBL17125374

SCHEMBL17125374

C=C(O)c1ccc(-n2cc(-c3ccccc3[N+](=O)[O-])cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.52
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
GRM4 Q14833 4/20 0.41
HPGDS O60760 1/20 0.39
ALKBH2 Q6NS38 1/20 0.39
MAPT P10636 2/20 0.38
GRM2 Q14416 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2B P41595 1/20 0.38
MTNR1A P48039 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAP4K4 O95819 1/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2710160 0.89 HSP90AA1 (0.53) HSP90AA1PDE3BPDE3AALDH1A1TDP1
SCHEMBL17125380 0.74 TSHR (0.47) HSP90AA1ALDH1A1HPGDSALKBH2MAPT
SCHEMBL181762 0.74 MAP4K4 (0.51) HSP90AA1GRM4HPGDSALKBH2MAPT
SCHEMBL28712254 0.73 ALDH1A1 (0.54) HSP90AA1PDE3BPDE3AALDH1A1TDP1
SCHEMBL182382 0.71 MAPKAPK2 (0.54) HSP90AA1ALDH1A1GRM4MAPTMEN1
SCHEMBL6374348 0.71 ALDH1A1 (0.54) HSP90AA1PDE3BPDE3AALDH1A1TDP1
SCHEMBL181844 0.69 HPGDS (0.54) HSP90AA1GRM4HPGDSALKBH2GRM2
SCHEMBL16784826 0.69 GRM4 (0.56) HSP90AA1ALDH1A1GRM4HPGDSALKBH2
SCHEMBL16280204 0.68 ALDH1A1 (0.54) HSP90AA1ALDH1A1TDP1MAPTMEN1
SCHEMBL6372484 0.68 ALDH1A1 (0.50) HSP90AA1PDE3BPDE3AALDH1A1TDP1

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 HSP90AA1 2105/4885PDE3B 1176/4885PDE3A 932/4885

“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.