SCHEMBL17627097

SCHEMBL17627097

CCSCn1nc([N+](=O)[O-])cc1C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ LMNA P02545 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ GAA P10253 1/20 0.44

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
SCHEMBL29955378 0.78 HTT (0.52) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL1008523 0.78 HTT (0.68) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2428998 0.78 HTT (0.56) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL17627055 0.77 HTT (0.55) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2760500 0.76 HTT (0.70) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL1008954 0.75 HTT (0.53) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL1520180 0.75 HTT (0.64) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL20555736 0.75 HTT (0.53) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL20555864 0.75 HTT (0.53) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL31052646 0.75 HTT (0.60) HTTALDH1A1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2999338-B1 KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-07-12 — — EP disclosed
EP-2999338-B1 KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-07-12 — — EP disclosed
US-20160106102-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-04-21 — — US disclosed
US-20160106102-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-04-21 — — US disclosed
US-20160106102-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-04-21 — — US disclosed
EP-2999338-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2016-03-30 — — EP disclosed
CN-105392365-A Heterocyclic compounds known and new as pest control agents BAYER CROPSCIENCE AG 2016-03-09 — — CN 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-20160106102-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, ACHE, NISCH HTT 708/4885ALDH1A1 2634/4885MEN1 2294/4885

“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.

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