SCHEMBL6832123

SCHEMBL6832123

B/C(=N\O)c1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA12 O43570 1/20 0.44
▸ CA3 P07451 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ GSK3B P49841 2/20 0.42
▸ CTBP2 P56545 1/20 0.41
▸ MMP3 P08254 1/20 0.40
▸ ENPP2 Q13822 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NOS3 P29474 2/20 0.39
▸ NOS1 P29475 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP2A6 P11509 2/20 0.39
▸ PARP15 Q460N3 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39
▸ TSHR P16473 1/20 0.37

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
SCHEMBL4947766 0.84 NOS3 (0.50) CA2CA1CA12CA3CA6
SCHEMBL1160894 0.84 NOS3 (0.50) CA2CA1CA12CA3CA6
SCHEMBL1228357 0.74 GSK3B (0.47) CA2CA1CA12CA3CA6
SCHEMBL10761154 0.74 GSK3B (0.47) CA2CA1CA12CA3CA6
SCHEMBL10761158 0.74 GSK3B (0.47) CA2CA1CA12CA3CA6
SCHEMBL7700455 0.74 LMNA (0.56) CA2CA1CA12CA3CA6
SCHEMBL3841206 0.74 CA2 (0.47) CA2CA1CA12CA3CA6
SCHEMBL1228358 0.74 GSK3B (0.47) CA2CA1CA12CA3CA6
SCHEMBL1160641 0.74 CA2 (0.47) CA2CA1CA12CA3CA6
SCHEMBL3841209 0.74 CA2 (0.47) CA2CA1CA12CA3CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172217-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 — — US disclosed
US-20120122805-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-05-17 — — US disclosed
US-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES LLC (US) 2009-08-20 — — 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 (3 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-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DDT, ACHE, NANP CA2 4588/4885CA1 4849/4885CA12 4884/4885
US-20120172217-A1 PESTICIDAL COMPOSITIONS DDT, AADAC, ACHE CA2 504/4885CA1 2186/4885CA12 3052/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS CA2 655/4885CA1 1656/4885CA12 3219/4885

“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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