SCHEMBL4273201

SCHEMBL4273201

Cc1ncc([N+](=O)[O-])n1CCBr

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.71
MAPK1 P28482 2/20 0.71
ALDH1A1 P00352 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
CA12 O43570 4/20 0.59
GLA P06280 1/20 0.59
ATM Q13315 1/20 0.59
GAA P10253 1/20 0.56
CHRM1 P11229 1/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.51
EGFR P00533 2/20 0.50
ERBB2 P04626 2/20 0.50
KDR P35968 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
SCHEMBL27519116 0.90 LMNA (0.68) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL28927348 0.86 LMNA (0.76) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL681530 0.85 LMNA (0.73) LMNAMAPK1ALDH1A1THRBTSHR
Metronidazole SCHEMBL23042 0.83 LMNA (1.00) LMNAMAPK1ALDH1A1THRBTSHR
Metronidazole SCHEMBL9482744 0.83 LMNA (1.00) LMNAMAPK1ALDH1A1THRBTSHR
Metronidazole SCHEMBL9455119 0.83 LMNA (1.00) LMNAMAPK1ALDH1A1THRBTSHR
Metronidazole SCHEMBL2221140 0.83 LMNA (1.00) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL4091924 0.83 LMNA (0.71) LMNAMAPK1ALDH1A1THRBTSHR
Metronidazole SCHEMBL31108924 0.83 LMNA (1.00) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL11521436 0.83 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160096-A Process for production of 5-nitroimidazole derivatives CRC COMPAGNIA DI RICERCA CIMICA S.A. (CH) 1979-07-03 US claimed
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 US disclosed
CN-118717763-A Anti-infective medicament and application thereof 华创合成制药股份有限公司 2024-10-01 CN disclosed
CN-111603469-A Anti-infective medicament and preparation method and application thereof 陕西合成药业股份有限公司 2020-09-01 CN disclosed
EP-2085394-B1 Metronidazole derivatives as antiparasitic agents UNIV JORDAN (JO) 2012-06-06 EP disclosed
EP-2085394-B1 Metronidazole derivatives as antiparasitic agents UNIV JORDAN (JO) 2012-06-06 EP disclosed
EP-2085394-A2 Metronidazole derivatives as antiparasitic agents Legal Affairs Office University of Jordan (JO) 2009-08-05 EP disclosed
EP-2085394-A2 Metronidazole derivatives as antiparasitic agents Legal Affairs Office University of Jordan (JO) 2009-08-05 EP disclosed
CN-101147485-A Heterocyclic organic sulfide germicide and its preparation method CHINESE OFFSHORE OIL COMPANY (CN) 2008-03-26 CN disclosed
EP-0055990-B1 BETA-LACTAM ANTIBIOTICS, THEIR PREPARATION AND USE BEECHAM GROUP PLC (GB) 1986-06-11 EP disclosed
US-4473578-A ACID, ESTER OR SALT DERIVATIVES OF MERCAPTO CARBAPENEMS BEECHAM GROUP LIMITED (GB) 1984-09-25 US disclosed
EP-0055990-A1 Beta-lactam antibiotics, their preparation and use BEECHAM GROUP PLC (GB) 1982-07-14 EP disclosed
EP-0024832-A1 Beta-lactam antibiotics, their preparation, pharmaceutical compositions containing them and their preparation BEECHAM GROUP PLC (GB) 1981-03-11 EP disclosed
US-4160096-A Process for production of 5-nitroimidazole derivatives CRC COMPAGNIA DI RICERCA CIMICA S.A. (CH) 1979-07-03 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-20250296915-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP LMNA 3687/4885MAPK1 2863/4885ALDH1A1 4626/4885

“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.