SCHEMBL6791620

SCHEMBL6791620

O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccncc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.63
ALDH1A1 P00352 5/20 0.63
MAPT P10636 4/20 0.63
LMNA P02545 2/20 0.63
AKR1C3 P42330 1/20 0.60
NPC1 O15118 1/20 0.60
HTT P42858 1/20 0.60
RAB9A P51151 1/20 0.60
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP3A4 P08684 1/20 0.57
GAA P10253 1/20 0.56

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
SCHEMBL16026508 0.90 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1MAPTLMNAAKR1C3
SCHEMBL1711059 0.86 MEN1 (0.67) SMN1; SMN2ALDH1A1MAPTLMNANPC1
SCHEMBL23008882 0.85 ESR1 (0.66) SMN1; SMN2ALDH1A1MAPTLMNAAKR1C3
SCHEMBL3439980 0.84 POLB (0.73) SMN1; SMN2ALDH1A1MAPTLMNAAKR1C3
SCHEMBL9152022 0.84 CA12 (0.77) SMN1; SMN2ALDH1A1LMNANPC1HTT
SCHEMBL26706248 0.84 NPC1 (0.71) SMN1; SMN2ALDH1A1MAPTLMNANPC1
SCHEMBL1845373 0.83 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL15722399 0.81 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1MAPTLMNANPC1
SCHEMBL7956657 0.80 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1LMNAAKR1C3CA12
SCHEMBL12082812 0.80 LMNA (0.69) SMN1; SMN2ALDH1A1MAPTLMNAAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730672-B2 PROTEASE INHIBITOR ZENECA LIMITED (GB) 2004-05-04 US disclosed
US-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED 2002-08-29 US disclosed
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed
US-6225309-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2001-05-01 US disclosed
US-5965559-A STRONG INHIBITORY EFFECT AGAINST THE ACTIVATED COAGULATION PROTEASE KNOWN AS FACTOR XA; PREVENTION OF THE CLEAVAGE OF PROTHROMBIN TO THROMBIN; AMINO-SUBSTITUTED PYRIMIDINES AMIDINE GROUP-FREE ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0880501-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
EP-0783500-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LTD (GB) 1998-07-22 EP disclosed
WO-1997028128-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1997-08-07 WO disclosed
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 WO 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-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents SERPINC1, F2, SULT1E1 SMN1; SMN2 2956/4885ALDH1A1 1423/4885MAPT 4881/4885

“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.