SCHEMBL396949

SCHEMBL396949

O=CN1CCCS/C1=C\[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL396950 1.00 ALDH1A1 (0.36) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL10362327 0.76 INMT (0.42) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL11002352 0.75 MEN1 (0.33) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL8797577 0.75 MEN1 (0.33) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL11071773 0.75 MEN1 (0.33) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL11071777 0.75 MEN1 (0.33) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL8797581 0.75 MEN1 (0.33) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL10363056 0.74 ALDH1A1 (0.35) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL11717923 0.72 INMT (0.46) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL10363046 0.72 INMT (0.46) ALDH1A1MEN1MAPTKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460408-A1 Nematicidal compositions deVGen N.V. (BE) 2012-06-06 EP claimed
EP-0117577-B1 PESTICIDAL NITROMETHYLENE DERIVATIVE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-10-08 EP claimed
US-4501742-A PESTICIDES SHELL OIL COMPANY (US) 1985-02-26 US claimed
EP-0117577-A1 Pesticidal nitromethylene derivative SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-09-05 EP claimed
JP-62181205-A None JP disclosed
JP-63270607-A None JP disclosed
US-20220204540-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2022-06-30 US disclosed
US-20220104495-A1 THEOPHYLLINE DERIVATIVES WITH NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND RELATIVE USE BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2022-04-07 US disclosed
US-10874107-B2 β-lactamase targeted photosensitizer for pesticide and pest detection THE GENERAL HOSPITAL CORPORATION (US) 2020-12-29 US disclosed
US-20200281208-A1 USE OF CRYSTALLINE FORMS OF COPPER SALICYLATE FOR THE CONTROL OF PHYTOPATHOGENIC BACTERIA ISAGRO S.P.A. (IT) 2020-09-10 US disclosed
US-20200154710-A1 BETA-LACTAMASE TARGETED PHOTOSENSITIZER FOR PESTICIDE AND PEST DETECTION BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2020-05-21 US disclosed
EP-3352570-B1 HETEROCYCLIC TRIFLUOROALKENYL COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF ISAGRO SPA (IT) 2020-04-08 EP disclosed
EP-0347227-A1 Pesticidal compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-12-20 EP disclosed
EP-0298530-A1 Process for the preparation of nitromethylene heterocyclic compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-01-11 EP disclosed
JP-S63270607-A STABILIZED INSECTICIDAL COMPOSITION AND STABILIZATION METHOD SHIONOGI & CO LTD 1988-11-08 JP disclosed
JP-S62181205-A STABILIZED INSECTICIDE HOKKO CHEM IND CO LTD 1987-08-08 JP disclosed
EP-0117577-B1 PESTICIDAL NITROMETHYLENE DERIVATIVE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-10-08 EP disclosed
US-4501742-A PESTICIDES SHELL OIL COMPANY (US) 1985-02-26 US disclosed
EP-0117577-A1 Pesticidal nitromethylene derivative SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-09-05 EP disclosed
EP-0117577-A1 Pesticidal nitromethylene derivative SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-09-05 EP 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 (4 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-10874107-B2 β-lactamase targeted photosensitizer for pesticide and pest detection DDT, BCHE, GUSB ALDH1A1 500/4885MEN1 4071/4885MAPT 2225/4885
US-20220204540-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF ACHE, CYP51A1, DNPH1 ALDH1A1 1226/4885MEN1 3832/4885MAPT 2912/4885
US-20200154710-A1 BETA-LACTAMASE TARGETED PHOTOSENSITIZER FOR PESTICIDE AND PEST DETECTION DDT, BCHE, GUSB ALDH1A1 479/4885MEN1 3967/4885MAPT 2213/4885
US-20220104495-A1 THEOPHYLLINE DERIVATIVES WITH NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND RELATIVE USE ACHE, XDH, TYMP ALDH1A1 2466/4885MEN1 4119/4885MAPT 1164/4885

“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.