SCHEMBL1045991

SCHEMBL1045991

Cn1ccnc1C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
LDHA P00338 4/20 0.53
LDHB P07195 4/20 0.53
ALDH1A1 P00352 4/20 0.51
TSHR P16473 3/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 5/20 0.48
HTT P42858 3/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NAMPT P43490 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
CYP2D6 P10635 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
SCHEMBL11669485 0.86 LDHA (0.52) SMN1; SMN2LDHALDHBALDH1A1TSHR
SCHEMBL5918187 0.83 LDHA (0.60) SMN1; SMN2LDHALDHBALDH1A1TSHR
SCHEMBL6920434 0.83 MAPT (0.54) SMN1; SMN2LDHALDHBALDH1A1TSHR
SCHEMBL6563493 0.83 HTT (0.49) SMN1; SMN2LDHALDHBALDH1A1TSHR
SCHEMBL5604635 0.82 TSHR (0.49) SMN1; SMN2LDHALDHBALDH1A1TSHR
Bromide SCHEMBL7373319 0.81 RAB9A (0.48) SMN1; SMN2LDHALDHBALDH1A1TSHR
SCHEMBL4199041 0.80 HTT (0.47) SMN1; SMN2LDHALDHBALDH1A1TSHR
SCHEMBL7716484 0.80 KMT2A (0.53) SMN1; SMN2LDHALDHBALDH1A1RAB9A
SCHEMBL28865452 0.79 GAA (0.56) SMN1; SMN2LDHALDHBALDH1A1TSHR
SCHEMBL15197114 0.79 SMN1; SMN2 (0.58) SMN1; SMN2LDHALDHBALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101484163-A 2-Benzoyl-imidazopyridine derivatives, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2009-07-15 CN claimed
EP-0007678-B1 OXIME ETHERS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ACF CHEMIEFARMA NV (NL) 1983-03-30 EP claimed
EP-0007678-A1 Oxime ethers, their preparation and pharmaceutical compositions containing them ACF CHEMIEFARMA NV (NL) 1980-02-06 EP claimed
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
US-8981111-B2 Fungicide hydroximoyl-heterocycles derivatives BAYER CROPSCIENCE AG (DE) 2015-03-17 US disclosed
US-20110034445-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-02-10 US disclosed
EP-2271641-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES Bayer CropScience AG (DE) 2011-01-12 EP disclosed
WO-2009130193-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-10-29 WO disclosed
CN-101484163-A 2-Benzoyl-imidazopyridine derivatives, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2009-07-15 CN disclosed
US-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors UCB, S.A. (BE) 2005-01-27 US disclosed
EP-0007678-B1 OXIME ETHERS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ACF CHEMIEFARMA NV (NL) 1983-03-30 EP disclosed
US-4352804-A ANTIULCER AGENTS, GASTROINTESTINAL DISORDERS ACF CHEMIEFARMA NV (NL) 1982-10-05 US disclosed
EP-0007678-A1 Oxime ethers, their preparation and pharmaceutical compositions containing them ACF CHEMIEFARMA NV (NL) 1980-02-06 EP 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 (2 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-20110034445-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES HAAO, HPD, CYP51A1 SMN1; SMN2 4257/4885LDHA 3052/4885LDHB 2691/4885
US-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors CHRM2, CHRM3, CHRM1 SMN1; SMN2 2829/4885LDHA 3098/4885LDHB 2921/4885

“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.