SCHEMBL9218436

SCHEMBL9218436

NCCCNc1ccc(Cl)nc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 20/20 0.51
STK17B O94768 12/20 0.51

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
SCHEMBL9220618 0.89 STK17A (0.44) STK17ASTK17B
SCHEMBL19796124 0.87 MAPT (0.46) STK17ASTK17B
SCHEMBL19796165 0.83 KCNQ3 (0.44)
SCHEMBL12841596 0.82 KCNQ3 (0.41) STK17ASTK17B
SCHEMBL7664958 0.82 RRM2 (0.47)
SCHEMBL7662714 0.78 RRM2 (0.44)
SCHEMBL17604124 0.78 KCNQ3 (0.46)
SCHEMBL11748511 0.76 MAPT (0.52) STK17A
SCHEMBL11348193 0.75 STK17A (0.55) STK17ASTK17B
SCHEMBL4442545 0.73 ADRA2A (0.49)

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-20120252792-A1 METHODS AND COMPOSITIONS FOR MODULATING RHO-MEDIATED GENE TRANSCRIPTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 US disclosed
US-20120252792-A1 METHODS AND COMPOSITIONS FOR MODULATING RHO-MEDIATED GENE TRANSCRIPTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 US disclosed
WO-2011035143-A2 METHODS AND COMPOSITIONS FOR INHIBITING RHO-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-24 WO disclosed
CN-1030317-C Insecticidal composition using nitromethylene compound as active ingredient SHELL INT RESEARCH (NL) 1995-11-22 CN disclosed
EP-0369526-B1 Nitromethylene compounds, their preparation and their use as pesticides SHELL INT RESEARCH (NL) 1995-07-26 EP disclosed
US-5039686-A Insecticides SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1991-08-13 US disclosed
CN-1042710-A Nitromethylene compounds, their preparation method and they are as the purposes of agricultural chemicals SHELL INT RESEARCH (NL) 1990-06-06 CN disclosed
EP-0369526-A2 Nitromethylene compounds, their preparation and their use as pesticides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-05-23 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 (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-20120252792-A1 METHODS AND COMPOSITIONS FOR MODULATING RHO-MEDIATED GENE TRANSCRIPTION RHOA, RHOC, ROCK1 STK17A 2930/4885STK17B 2975/4885

“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.