SCHEMBL6784387

SCHEMBL6784387

COC(=O)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
MEN1 O00255 2/20 0.76
HTT P42858 2/20 0.76
TRPV1 Q8NER1 3/20 0.74
MAPT P10636 2/20 0.67
RAB9A P51151 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C19 P33261 1/20 0.67
ALDH1A1 P00352 4/20 0.63
TDP1 Q9NUW8 1/20 0.63
TRPM2 O94759 1/20 0.61
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NPC1 O15118 1/20 0.58
CYP2C9 P11712 1/20 0.58

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
SCHEMBL6784388 1.00 KMT2A (0.76) KMT2ASMN1; SMN2MEN1HTTTRPV1
SCHEMBL6791025 0.87 ALDH1A1 (0.80) KMT2ASMN1; SMN2MEN1HTTTRPV1
SCHEMBL6791019 0.87 ALDH1A1 (0.80) KMT2ASMN1; SMN2MEN1HTTTRPV1
SCHEMBL8641053 0.86 SMN1; SMN2 (0.72) KMT2ASMN1; SMN2MEN1HTTTRPV1
SCHEMBL8641059 0.86 SMN1; SMN2 (0.72) KMT2ASMN1; SMN2MEN1HTTTRPV1
SCHEMBL28609662 0.82 SMN1; SMN2 (0.74) KMT2ASMN1; SMN2MEN1HTTMAPT
SCHEMBL28609663 0.82 SMN1; SMN2 (0.74) KMT2ASMN1; SMN2MEN1HTTMAPT
SCHEMBL13890859 0.80 SNCA (0.58) KMT2ASMN1; SMN2MEN1HTTTRPV1
SCHEMBL4300487 0.80 SMN1; SMN2 (0.74) KMT2ASMN1; SMN2MEN1HTTTRPV1
SCHEMBL4300486 0.80 SMN1; SMN2 (0.74) KMT2ASMN1; SMN2MEN1HTTTRPV1

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
US-6727250-B2 ADMINISTERING COMPOUNDS SUCH AS TRANS-3-(NAPHTH-2-YL)-BUT-2-ENOIC ACID-N-(2-CARBOXY-PHENYL)-AMIDE OR LIKE FOR THERAPY OF CONDITIONS ASSOCIATED WITH INCREASED TELOMERASE ACTIVITY, E.G. TUMOUR DISEASES BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-04-27 US disclosed
US-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-07-25 US disclosed
US-6362210-B1 ANTITUMOR, ANTICANCER AGENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-26 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-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation TERT, NAT1, POT1 KMT2A 490/4885SMN1; SMN2 62/4885MEN1 896/4885

“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.