Sugi Predict

Sugi Predict / Compounds / SCHEMBL4556731

SCHEMBL4556731

SCHEMBL4556731

COC(=O)c1ccc(C#N)nc1CBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.40
▸ HPGD P15428 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CRHBP P24387 2/20 0.39
▸ CRHR2 Q13324 2/20 0.39
▸ ALOX5AP P20292 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 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
SCHEMBL837277 0.80 NPSR1 (0.44) ALDH1A1HPGDKDM4EGAACYP1A2
SCHEMBL3510730 0.80 GAA (0.54) ALDH1A1HPGDKDM4EGAACYP1A2
SCHEMBL29574628 0.78 PDE4A (0.44) ALDH1A1HPGDKDM4EGAACYP1A2
SCHEMBL20599363 0.78 PDE4A (0.44) ALDH1A1HPGDKDM4EGAACYP1A2
SCHEMBL23530068 0.78 MAPK1 (0.42) ALDH1A1HPGDKDM4EGAACYP1A2
SCHEMBL38655981 0.78 CA12 (0.40) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL29550166 0.78 MAPK1 (0.42) ALDH1A1HPGDKDM4EGAACYP1A2
SCHEMBL22557407 0.78 L3MBTL1 (0.42) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL38656562 0.78 CA12 (0.40) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL24484699 0.77 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EGAACYP1A2

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
WO-2023116835-A1 MULTI-PROTEIN DEGRADATION AGENT HAVING IMIDE SKELETON 苏州开拓药业股份有限公司 2023-06-29 — — WO disclosed
EP-2635566-B1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2018-05-16 — — EP disclosed
US-8772304-B2 Benzimidazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 — — US disclosed
US-8772304-B2 Benzimidazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 — — US disclosed
US-20120277227-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-01 — — US disclosed
US-20120277227-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-01 — — US disclosed
WO-2012061169-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 — — WO 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-20120277227-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTC4S, LTB4R, LTB4R2 ALDH1A1 283/4885HPGD 494/4885KDM4E 2585/4885

“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.