SCHEMBL6199248

SCHEMBL6199248

O=[N+]([O-])Nc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
ALOX5 P09917 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
PAX8 Q06710 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
FBP1 P09467 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
GSK3B P49841 2/20 0.43
GSK3A P49840 1/20 0.43
ARNT P27540 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
Hydrochloric Acid SCHEMBL28169485 0.79 ALDH1A1 (0.47) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL399101 0.76 TRPV1 (0.43) MAPTMEN1KMT2ALMNAHTT
SCHEMBL27695100 0.76 KMT2A (0.62) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL8030507 0.76 TSHR (0.52) MAPTMEN1KMT2AHTTALOX5
SCHEMBL28187810 0.76 LMNA (0.39) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL11568356 0.76 MEN1 (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4853551 0.76 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL8061244 0.76 ALDH1A1 (0.52) ALDH1A1TDP1MAPTMEN1KMT2A
Nitric Acid SCHEMBL20984977 0.76 MAPT (0.50) ALDH1A1TDP1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL28403396 0.74 ALDH1A1 (0.50) ALDH1A1TDP1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US disclosed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP disclosed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
EP-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed
EP-1406884-A1 ARYLSUSFONAMIDE COMPOUNDS FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS-DISORDERS BIOVITRUM AB (SE) 2004-04-14 EP disclosed
EP-0963371-B1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE US GOV HEALTH & HUMAN SERV (US) 2003-05-02 EP disclosed
WO-2002092585-A1 NOVEL, ARYLSUSFONAMIDE COMPOUNDS FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS-DISORDERS BIOVITRUM AB (SE) 2002-11-21 WO disclosed
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
EP-1140814-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-10 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO disclosed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 WO disclosed
EP-0963371-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-12-15 EP disclosed
WO-1998037072-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-08-27 WO disclosed
EP-0057861-B1 PROCESS FOR THE PREPARATION OF NITROANILINES BAYER AG (DE) 1985-04-10 EP disclosed
US-4421694-A Process for the preparation of nitroanilines BAYER AKTIENGESELLSCHAFT (DE) 1983-12-20 US disclosed
EP-0057861-A2 Process for the preparation of nitroanilines BAYER AG (DE) 1982-08-18 EP disclosed
US-4077971-A ULTRAVIOLET ABSORBERS SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-03-07 US disclosed
US-3844762-A PHENYLNITRAMINE HERBICIDES AMERICAN CYANAMID CO 1974-10-29 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-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ICAM1, VCAM1, EPCAM ALDH1A1 484/4885TDP1 4760/4885MAPT 3667/4885

“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.