SCHEMBL6791025

SCHEMBL6791025

O=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.80
HTT P42858 2/20 0.80
MAPT P10636 1/20 0.80
TDP1 Q9NUW8 1/20 0.80
TRPM2 O94759 2/20 0.78
SMN1; SMN2 Q16637 3/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
TRPV1 Q8NER1 4/20 0.69
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
LTB4R Q15722 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
SCHEMBL6791019 1.00 ALDH1A1 (0.80) ALDH1A1HTTMAPTTDP1TRPM2
SCHEMBL8641053 0.89 SMN1; SMN2 (0.72) ALDH1A1HTTMAPTTDP1TRPM2
SCHEMBL8641059 0.89 SMN1; SMN2 (0.72) ALDH1A1HTTMAPTTDP1TRPM2
SCHEMBL2272146 0.88 TRPM2 (0.77) ALDH1A1HTTMAPTTDP1TRPM2
SCHEMBL2272147 0.88 TRPM2 (0.77) ALDH1A1HTTMAPTTDP1TRPM2
SCHEMBL6784387 0.87 KMT2A (0.76) ALDH1A1HTTMAPTTDP1TRPM2
SCHEMBL6784388 0.87 KMT2A (0.76) ALDH1A1HTTMAPTTDP1TRPM2
SCHEMBL6525728 0.86 TRPM2 (0.76) ALDH1A1HTTMAPTTDP1TRPM2
SCHEMBL6525729 0.86 TRPM2 (0.76) ALDH1A1HTTMAPTTDP1TRPM2
SCHEMBL8065998 0.86 TRPV1 (0.67) ALDH1A1HTTMAPTTDP1TRPM2

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 5 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
US-6127392-A A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 US disclosed
US-6046239-A USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-04-04 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 ALDH1A1 102/4885HTT 585/4885MAPT 1221/4885

“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.