SCHEMBL1319894

SCHEMBL1319894

O=C/C=C/c1cccn1-c1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ ATM Q13315 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ HCAR1 Q9BXC0 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ TRIM24 O15164 1/20 0.31
▸ TRIM33 Q9UPN9 1/20 0.31
▸ GSK3A P49840 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ HTT P42858 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
SCHEMBL1319896 1.00 GAA (0.42) GAAATMALDH1A1TRPA1LMNA
SCHEMBL1321565 0.83 GAA (0.58) GAAATMALDH1A1MGLLKMT2A
SCHEMBL12120933 0.76 ATM (0.67) GAAATMALDH1A1TRPA1LMNA
SCHEMBL1322135 0.76 KMT2A (0.56) GAAATMALDH1A1LMNAMAPK1
SCHEMBL1322136 0.76 KMT2A (0.56) GAAATMALDH1A1LMNAMAPK1
SCHEMBL12473973 0.76 GRIN2D (0.49) GAAKMT2AHTT
SCHEMBL28817910 0.70 ALDH1A1 (0.49) GAAATMALDH1A1TRPA1LMNA
SCHEMBL28817922 0.70 POLB (0.38) GAAATMALDH1A1TRPA1LMNA
SCHEMBL4003906 0.69 PKM (0.49) GAAATMALDH1A1LMNAMAPK1
SCHEMBL4004085 0.67 ATM (0.45) ATMALDH1A1LMNAMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2348016-B1 Phenyl pyrrole aminoguanidine derivatives SYNACT PHARMA APS (DK) 2016-02-17 — — EP disclosed
EP-2348016-B1 Phenyl pyrrole aminoguanidine derivatives SYNACT PHARMA APS (DK) 2016-02-17 — — EP disclosed
US-8058306-B2 Phenyl pyrrole aminoguanidine derivatives ACTION PHARMA A/S (DK) 2011-11-15 — — US disclosed
US-8058306-B2 Phenyl pyrrole aminoguanidine derivatives ACTION PHARMA A/S (DK) 2011-11-15 — — US disclosed
EP-2348016-A1 Phenyl pyrrole aminoguanidine derivatives Action Pharma A/S (DK) 2011-07-27 — — EP disclosed
EP-2348016-A1 Phenyl pyrrole aminoguanidine derivatives Action Pharma A/S (DK) 2011-07-27 — — EP disclosed
EP-2035373-B1 PHENYL PYRROLE AMINOGUANIDINE DERIVATIVES ACTION PHARMA AS (DK) 2011-05-04 — — EP disclosed
EP-2035373-B1 PHENYL PYRROLE AMINOGUANIDINE DERIVATIVES ACTION PHARMA AS (DK) 2011-05-04 — — EP disclosed
US-20110082183-A1 PHENYL PYRROLE AMINOGUANIDINE DERIVATIVES ACTION PHARMA A/S (DK) 2011-04-07 — — US disclosed
US-20110082183-A1 PHENYL PYRROLE AMINOGUANIDINE DERIVATIVES ACTION PHARMA A/S (DK) 2011-04-07 — — 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-20110082183-A1 PHENYL PYRROLE AMINOGUANIDINE DERIVATIVES MC1R, MC5R, MC4R GAA 1373/4885ATM 3703/4885ALDH1A1 2301/4885

“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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