SCHEMBL2000779

SCHEMBL2000779

O=Cc1cc([N+](=O)[O-])c(Cl)cc1O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
ERN1 O75460 4/20 0.50
VCAM1 P19320 2/20 0.50
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
XDH P47989 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
GPR35 Q9HC97 2/20 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
SCHEMBL16838210 0.85 ERN1 (0.56) ALDH1A1CYP3A4ERN1XDHALDH5A1
SCHEMBL1607530 0.83 ERN1 (0.55) ALDH1A1CYP3A4ERN1TSHRMAPK1
SCHEMBL537580 0.83 VCAM1 (0.55) ALDH1A1CYP3A4ERN1VCAM1TSHR
SCHEMBL68172 0.81 ALDH1A1 (0.71) ALDH1A1CYP3A4VCAM1TSHRMAPK1
SCHEMBL9789906 0.79 VCAM1 (0.55) ALDH1A1CYP3A4ERN1VCAM1TSHR
SCHEMBL5583374 0.79 VCAM1 (0.55) ALDH1A1CYP3A4ERN1VCAM1TSHR
SCHEMBL16838200 0.79 ERN1 (0.55) ALDH1A1CYP3A4ERN1XDHALDH5A1
SCHEMBL5642359 0.79 ALDH1A1 (0.63) ALDH1A1CYP3A4VCAM1TSHRMAPK1
SCHEMBL8767757 0.79 ALDH1A1 (0.63) ALDH1A1CYP3A4VCAM1TSHRMAPK1
SCHEMBL25145164 0.79 VCAM1 (0.50) ALDH1A1CYP3A4ERN1VCAM1TSHR

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026086794-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF THE CHINESE UNIVERSITY OF HONG KONG (CN) 2026-04-30 WO disclosed
EP-1807440-B1 NOVOBIOCIN ANALOGUES AS ANTICANCER AGENTS UNIV KANSAS (US) 2020-02-19 EP disclosed
EP-2438078-B1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIV KANSAS (US) 2017-10-25 EP disclosed
EP-2438078-B1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIV KANSAS (US) 2017-10-25 EP disclosed
US-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 US disclosed
US-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 US disclosed
US-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 US disclosed
EP-2231619-B1 INHIBITORS OF STEAROYL-COA DESATURASE HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-04 US disclosed
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-04 US disclosed
EP-0159962-A2 Fibre-reactive chromium or cobalt complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-10-30 EP disclosed
EP-0156768-A2 Process for the preparation of 1:2 chromium complex dyes CIBA-GEIGY AG (CH) 1985-10-02 EP disclosed
EP-0144776-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-06-19 EP disclosed
EP-0142104-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-05-22 EP disclosed
EP-0141416-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-05-15 EP disclosed
US-4436659-A DYEING POLYAMIDS, AZO DYES CIBA-GEIGY CORPORATION (US) 1984-03-13 US disclosed
US-4318849-A COPPER, NICKEL, CHROMIUM OR COBALT COMPLEXES OF AZO OR AZO-METHINE DYES CIBA-GEIGY CORPORATION (US) 1982-03-09 US disclosed
US-4219473-A Substituted unsymmetrical azo, azomethine 1:2 chromium complexes CIBA-GEIGY CORPORATION (US) 1980-08-26 US disclosed
US-4215042-A PRINTING AND DYEING OF POLYAMIDES; COLORFASTNESS CIBA-GEIGY CORPORATION (US) 1980-07-29 US disclosed
US-3978037-A POLYAMIDES CIBA-GEIGY CORPORATION (US) 1976-08-31 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-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 ALDH1A1 3066/4885CYP3A4 3151/4885ERN1 821/4885

“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.