SCHEMBL5791257

SCHEMBL5791257

NC(=O)c1cccc(-c2cccc(N)c2N)c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
GRK6 P43250 1/20 0.42
BRD4 O60885 1/20 0.41
PARP1 P09874 3/20 0.40
MMP2 P08253 1/20 0.40
PDK2 Q15119 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
BTK Q06187 1/20 0.39
METAP2 P50579 1/20 0.37
GAA P10253 2/20 0.37
G6PD P11413 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 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
SCHEMBL402013 0.86 BCAT2 (0.56) BCAT2KEAP1NFE2L2PARP1PDK2
SCHEMBL1512043 0.82 MMP2 (0.47) BCAT2KEAP1NFE2L2BRD4PARP1
SCHEMBL5608858 0.80 BCAT2 (0.61) BCAT2KEAP1NFE2L2PARP1PDK2
SCHEMBL11218560 0.80 ALDH1A1 (0.50) BCAT2KEAP1NFE2L2BRD4PARP1
SCHEMBL998313 0.80 MMP2 (0.48) BCAT2KEAP1NFE2L2GRK6PARP1
SCHEMBL3804575 0.79 ALDH1A1 (0.50) BCAT2KEAP1NFE2L2GRK6BRD4
SCHEMBL5791255 0.78 GRK6 (0.48) BCAT2KEAP1NFE2L2GRK6BRD4
Hydrochloric Acid SCHEMBL631451 0.78 MMP2 (0.47) BCAT2KEAP1NFE2L2GRK6PARP1
SCHEMBL14990637 0.78 MMP2 (0.53) MMP2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL466296 0.77 KDM4E (0.54) BCAT2KEAP1NFE2L2PARP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006009696-A2 ANTICOAGULANT CONTRAST MEDIA HEMATROPE PHARMACEUTICALS INC (US) 2006-01-26 WO disclosed
US-20050281746-A1 Anticoagulant contrast media HEMATROPE PHARMACEUTICALS, INC. 2005-12-22 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-20050281746-A1 Anticoagulant contrast media SERPINC1, F2, TFPI BCAT2 3446/4885KEAP1 2277/4885NFE2L2 4197/4885

“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.