SCHEMBL11730375

SCHEMBL11730375

N#CC1=C(C#N)C(=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.41
▸ NEK6 Q9HC98 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GSK3B P49841 1/20 0.30
▸ MAPT P10636 3/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ MGAT2 Q10469 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
SCHEMBL10501810 0.81 ALOX15 (0.35) ALOX15
SCHEMBL9168723 0.81 ALOX15 (0.35) ALOX15MEN1KMT2AGSK3B
SCHEMBL15470460 0.81 ALOX15 (0.35) ALOX15
SCHEMBL10500977 0.75 ALOX15 (0.36) ALOX15NEK6MEN1GAATHRB
SCHEMBL12220350 0.74 ALOX15 (0.39) ALOX15NEK6MEN1GAATHRB
SCHEMBL12588803 0.71 ALOX15 (0.37) ALOX15NEK6MEN1GAATHRB
SCHEMBL9770871 0.69 ALOX15 (0.52) ALOX15MEN1GAATHRBKMT2A
SCHEMBL615573 0.67 MEN1 (0.31) ALOX15MEN1GAATHRBKMT2A
SCHEMBL9812290 0.65 ALOX15 (0.30) ALOX15MEN1GAATHRBKMT2A
Methane SCHEMBL1176537 0.65 ALOX15 (0.30) ALOX15MEN1GAATHRBKMT2A

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-20140045689-A1 3,4-disubstituted pyrrole 2,5-diones and their use as fungicides BASF SE (DE) 2014-02-13 — — US disclosed
US-20140045689-A1 3,4-disubstituted pyrrole 2,5-diones and their use as fungicides BASF SE (DE) 2014-02-13 — — US disclosed
US-4057432-A PHOTOGRAPHIC COUPLERS KONISHIROKU PHOTO INDUSTRY CO., LTD. (JA) 1977-11-08 — — 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-20140045689-A1 3,4-disubstituted pyrrole 2,5-diones and their use as fungicides CYP51A1, DDT, DPM1 ALOX15 2054/4885NEK6 2958/4885MEN1 1295/4885

“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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