SCHEMBL3134716

SCHEMBL3134716

O=C(O)CNc1ccccc1C(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
KCNMA1 Q12791 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 1/20 0.45
KAT2B Q92831 1/20 0.43
AGTR1 P30556 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP7 P55210 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7697 0.89 MEN1 (0.43) CTSDALDH1A1MEN1KMT2AGAA
SCHEMBL2914635 0.87 CES2 (0.52) ALDH1A1MEN1KMT2AGAAMAPT
Hydrochloric Acid SCHEMBL6032002 0.85 MEN1 (0.60) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL124292 0.85 MEN1 (0.60) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL1115173 0.80 ALOX5 (0.48) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL975117 0.79 ALDH1A1 (0.68) CTSDALDH1A1MEN1KMT2AGAA
SCHEMBL27770288 0.78 PARP1 (0.44) CTSDALDH1A1MEN1KMT2AGAA
SCHEMBL1653792 0.78 GPR35 (0.49) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL698881 0.77 AGTR1 (0.60) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL27447187 0.76 ERN1 (0.48) ALDH1A1MEN1KMT2AGAAMAPT

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
CN-115298177-A Bicyclic amines as CDK2 inhibitors 因赛特公司 2022-11-04 CN disclosed
US-8399448-B2 6-amino-pyrimidine-4-carboxamide derivatives and related compounds which bind to the sphingosine 1-phosphate (S1P) receptor for the treatment of multiple sclerosis MERCK SERONO SA (CH) 2013-03-19 US disclosed
US-20100210619-A1 6-Amino-Pyrimidine-4-Carboxamide Derivatives and Related Compounds Which Bind to the Sphingosine 1-Phosphate (S1P) Receptor for the Treatment of Multiple Sclerosis MERCK SERONO SA (CH) 2010-08-19 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-20100210619-A1 6-Amino-Pyrimidine-4-Carboxamide Derivatives and Related Compounds Which Bind to the Sphingosine 1-Phosphate (S1P) Receptor for the Treatment of Multiple Sclerosis S1PR1, S1PR5, S1PR3 CTSD 4448/4885ALDH1A1 3621/4885MEN1 2399/4885

“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.