Sugi Predict

Sugi Predict / Compounds / SCHEMBL4091924

SCHEMBL4091924

SCHEMBL4091924

Cc1ncc([N+](=O)[O-])n1CCCl

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.71
▸ ALDH1A1 P00352 2/20 0.71
▸ MAPK1 P28482 2/20 0.71
▸ THRB P10828 1/20 0.71
▸ TSHR P16473 1/20 0.71
▸ CA1 P00915 5/20 0.64
▸ CA2 P00918 5/20 0.64
▸ CA9 Q16790 5/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ CHRM1 P11229 1/20 0.62
▸ GAA P10253 1/20 0.60
▸ CA12 O43570 4/20 0.59
▸ GLA P06280 1/20 0.59
▸ ATM Q13315 1/20 0.59
▸ KMT2A Q03164 2/20 0.54
▸ KDR P35968 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ GUSB P08236 1/20 0.50

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 SCHEMBL28018868 0.98 LMNA (0.69) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11830546 0.92 LMNA (0.69) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL28927348 0.86 LMNA (0.76) LMNAALDH1A1MAPK1THRBTSHR
Metronidazole SCHEMBL2564477 0.86 LMNA (0.91) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL681530 0.85 LMNA (0.73) LMNAALDH1A1MAPK1THRBTSHR
Metronidazole SCHEMBL2221140 0.83 LMNA (1.00) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL4273201 0.83 LMNA (0.71) LMNAALDH1A1MAPK1THRBTSHR
Metronidazole SCHEMBL5313560 0.83 LMNA (1.00) LMNAALDH1A1MAPK1THRBTSHR
Metronidazole SCHEMBL9455119 0.83 LMNA (1.00) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11521436 0.83 LMNA (0.71) LMNAALDH1A1MAPK1THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 — — US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS — 1998-12-30 — — WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 — — WO claimed
JP-3005462-A — — None — — JP disclosed
CN-105037389-B A kind of preparation method of rifamycin nitroimidazole coupling molecule 丹诺医药(苏州）有限公司 2017-09-05 — — CN disclosed
CN-105037389-A Preparation method of rifamycin-nitroiminazole coupled molecule TENNOR THERAPEUTICS LTD 2015-11-11 — — CN disclosed
US-20090124593-A1 Pharmaceutical Compositions Primarily for the Treatment and Prevention of Genitourinary Infections and their ExtraGenital Complications MARTON MILANKOVITS 2009-05-14 — — US disclosed
US-20090074839-A1 Pharmaceutical Compositions Primarily for the Treatment and Prevention of Genitourinary Infections and their Extragenital Complications MILANKOVITS MARTON 2009-03-19 — — US disclosed
US-7402583-B2 Substituted quinolines as antitumor agents ASTRZENCA AB (SE) 2008-07-22 — — US disclosed
US-7402583-B2 Substituted quinolines as antitumor agents ASTRZENCA AB (SE) 2008-07-22 — — US disclosed
US-20070021407-A1 Substituted quinolines as antitumor agents ASTRAZENECA 2007-01-25 — — US disclosed
EP-0399900-A1 Process for the preparation of 1-(2-chloro-ethyl)-2-methyl-5-nitro imidazol RHONE-POULENC SANTE (FR) 1990-11-28 — — EP disclosed
EP-0396282-A2 N-aryl-N-[4-(heterocyclicalkyl) piperidinyl]amides and pharmaceutical compositions and methods employing such compounds BOC, INC. (US) 1990-11-07 — — EP disclosed
US-4097669-A FUNGICIDES, BACTERICIDES, INSECTICIDES, ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DT) 1978-06-27 — — US disclosed
US-3997572-A N-[2-(nitro-1-imidazolyl)ethyl]naphthal imides G. D. SEARLE & CO. (US) 1976-12-14 — — US disclosed
US-3954768-A 2-(2-Methyl-5-nitro-1-imidazolyl)ethyl cycloaminocarbodithioates G. D. SEARLE & CO. (US) 1976-05-04 — — US disclosed
US-3954768-A 2-(2-Methyl-5-nitro-1-imidazolyl)ethyl cycloaminocarbodithioates G. D. SEARLE & CO. (US) 1976-05-04 — — US disclosed
US-3910925-A {8 2-(2-Methyl-5-nitro-1-imidazolyl)ethyl{9 benzo(b)pyridyloxy ethers SEARLE & CO 1975-10-07 — — US disclosed
US-3910945-A 2-(2-Methyl-5-nitro-1-imidazolyl)ethyl-N-arylalkyldithiocarbamates SEARLE & CO 1975-10-07 — — US disclosed
US-3886160-A 2-(2-Methyl-5-nitro-1-imidazolyl) ethyl-2-thiopseudoureas SEARLE & CO 1975-05-27 — — 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 (3 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-20070021407-A1 Substituted quinolines as antitumor agents NR1H3, NR1H2, NR0B1 LMNA 3425/4885ALDH1A1 3767/4885MAPK1 3086/4885
US-20090124593-A1 Pharmaceutical Compositions Primarily for the Treatment and Prevention of Genitourinary Infections and their ExtraGenital Complications SOD1, OAT, ELANE LMNA 1038/4885ALDH1A1 1707/4885MAPK1 4511/4885
US-20090074839-A1 Pharmaceutical Compositions Primarily for the Treatment and Prevention of Genitourinary Infections and their Extragenital Complications DHFR, FPGS, FOLR1 LMNA 4659/4885ALDH1A1 4171/4885MAPK1 3150/4885

“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.