SCHEMBL322593

SCHEMBL322593

Cn1nccc1-c1cc(-c2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.51
PTGER1 P34995 3/20 0.50
ADRA1A P35348 1/20 0.47
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
PORCN Q9H237 1/20 0.42
BRD4 O60885 3/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
CREBBP Q92793 1/20 0.41
EGFR P00533 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5578247 0.81 MEN1 (0.56) LRRK2PTGER1ADRA1AMEN1KMT2A
SCHEMBL1094535 0.80 SCN9A (0.47) LRRK2PTGER1ADRA1AHTR2AHTR2C
SCHEMBL24121207 0.79 ADRA1A (0.46) LRRK2PTGER1ADRA1ABRD4CREBBP
SCHEMBL30381130 0.79 ADRA1A (0.46) LRRK2PTGER1ADRA1ABRD4CREBBP
SCHEMBL15057286 0.78 LRRK2 (0.53) LRRK2ADRA1APORCNKDM4EUSP2
SCHEMBL6182685 0.76 CYP19A1 (0.50) LRRK2PTGER1ADRA1AHTR2AHTR2C
SCHEMBL15688501 0.76 CYP1A2 (0.62) LRRK2PORCNLMNAEGFRAURKB
SCHEMBL29487799 0.75 ICMT (0.52) LRRK2PORCNALDH1A1MRGPRX4EGFR
SCHEMBL30363080 0.75 CYP19A1 (0.46) LRRK2ADRA1AALDH1A1CREBBPMEN1
SCHEMBL320298 0.74 MAPT (0.46) PORCNKDM4EUSP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590951-B1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2015-01-07 EP disclosed
EP-2590951-B1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2015-01-07 EP disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
EP-2590951-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS Pfizer Limited (GB) 2013-05-15 EP disclosed
WO-2012004743-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
WO-2012004743-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 US disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 US disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 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-20120010182-A1 Chemical Compounds SCN1A, SCN1B, CACNA1E LRRK2 4046/4885PTGER1 642/4885ADRA1A 686/4885

“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.