SCHEMBL7949201

SCHEMBL7949201

CCn1c([N+](=O)[O-])cnc1C

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.68
MAPK1 P28482 2/20 0.68
ALDH1A1 P00352 2/20 0.68
THRB P10828 1/20 0.68
TSHR P16473 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.65
ATM Q13315 1/20 0.64
CA1 P00915 5/20 0.60
CA2 P00918 5/20 0.60
CA9 Q16790 5/20 0.60
GAA P10253 1/20 0.60
CHRM1 P11229 1/20 0.59
CA12 O43570 4/20 0.56
GLA P06280 1/20 0.56
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 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 SCHEMBL12004705 0.96 LMNA (0.64) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL681530 0.86 LMNA (0.73) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL28927348 0.84 LMNA (0.76) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL9711175 0.84 MAPK1 (0.76) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL4470811 0.84 LMNA (0.66) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL11863715 0.83 LMNA (0.69) LMNAMAPK1ALDH1A1THRBTSHR
Metronidazole SCHEMBL2670090 0.82 LMNA (0.94) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL3466681 0.81 LMNA (0.62) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL4091924 0.81 LMNA (0.71) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL11521436 0.81 LMNA (0.71) LMNAMAPK1ALDH1A1THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170274087-A1 SACCHARIDE ANALOGS AND AGENTS FOR THE DIAGNOSIS AND THERAPY OF BACTERIAL INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-09-28 US disclosed
US-6255495-B1 KILLING HYPOXIC TUMOR CELLS AND TREATING DERMATOLOGICAL DISEASES IN WARM-BLOODED ANIMALS VIA ADMINISTERING RADIOSENSITIZING AMOUNT OF ELECTRON-AFFINIC-DIAMINE FLORIDA STATE UNIVERSITY 2001-07-03 US disclosed
US-6060604-A FOR RADIOTHERAPY TECHNIQUES, INCREASING TUMOR RADIOSENSITIVITY FLORIDA STATE UNIVERSITY (US) 2000-05-09 US disclosed
US-6057453-A OXIDATION, FORMING RADIOSENSITIZING DIAMINES, REDUCTION FLORIDA STATE UNIVERSITY (US) 2000-05-02 US disclosed
CN-1232395-A Pharmaceutical compounds containing polyamines substituted with electron affinity groups UNIV FLORIDA STATE (US) 1999-10-20 CN disclosed
US-4065567-A Substituted nitroimidazolyl thiadiazoles and oxadiazoles as antibacterial agents and growth promoting compounds AMERICAN CYANAMID COMPANY (US) 1977-12-27 US disclosed
US-3991200-A Substituted nitroimidazolyl thiadiazoles and oxadiazoles as antibacterial agents and growth promoting compounds AMERICAN CYANAMID COMPANY (US) 1976-11-09 US disclosed
US-3952007-A Processes for preparing 5-nitro-1-methyl-2-(2-dialkylaminovinyl)-imidazole and 5-nitro-1-methyl-2-imidazolyl carboxaldehyde SCHERING AKTIENGESELLSCHAFT (DT) 1976-04-20 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-20170274087-A1 SACCHARIDE ANALOGS AND AGENTS FOR THE DIAGNOSIS AND THERAPY OF BACTERIAL INFECTIONS DDOST, STT3B, CD47 LMNA 4358/4885MAPK1 3828/4885ALDH1A1 1652/4885

“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.