SCHEMBL5070895

SCHEMBL5070895

COC=C(C#N)c1cc(Cl)cc(Cl)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.35
GABRG2 P18507 7/20 0.35
GABRB3 P28472 7/20 0.35
GABRB2 P47870 4/20 0.35
GABRB1 P18505 2/20 0.35
ALDH1A1 P00352 2/20 0.34
THRB P10828 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
CLK4 Q9HAZ1 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
SCHEMBL5070893 1.00 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL14689525 0.74 AKR1C4 (0.40) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL5069206 0.71 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL5069207 0.71 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL7157165 0.68 AKR1C4 (0.42) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL5070871 0.67 PDK2 (0.32) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL16954743 0.64 ALDH1A1 (0.52) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL9860364 0.64 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL9860368 0.64 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2GABRB1
Methoxymethane SCHEMBL28100007 0.63 ALDH1A1 (0.75) ALDH1A1HPGDTSHRHSD17B10

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5136080-A Intermediates for glutamate inhibitors BURROUGHS WELLCOME CO. (US) 1992-08-04 US claimed
EP-1325916-B1 Piperazinyl-substituted phenyl pyrimidine derivatives useful in the treatment or prevention of disorders of the central nervous system WELLCOME FOUND (GB) 2008-01-23 EP disclosed
EP-1681058-A2 Pharmacologically active cns compounds THE WELLCOME FOUNDATION LIMITED (GB) 2006-07-19 EP disclosed
US-20030044845-A1 Novel therapeutic agents for membrane transporters THERAVANCE BIOPHARMA R&D IP, LLC 2003-03-06 US disclosed
US-6479498-B1 COMPRISE 2-10 SODIUM CHANNEL LIGANDS COVALENTLY CONNECTED BY A LINKER OR LINKERS THERAVANCE, INC. 2002-11-12 US disclosed
US-6420354-B1 Sodium channel drugs and uses ADVANCED MEDICINE, INC. 2002-07-16 US disclosed
WO-1999063984-A9 NOVEL SODIUM CHANNEL DRUGS AND USES 2002-04-25 WO disclosed
WO-1999064045-A9 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS ADVANCED MEDICINE INC (US) 2001-07-05 WO disclosed
EP-1089749-A4 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS ADVANCED MEDICINE INC (US) 2001-04-11 EP disclosed
EP-1089749-A1 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS Advanced Medicine, Inc. (US) 2001-04-11 EP disclosed
EP-0459819-B1 Pharmacologically active CNS compound WELLCOME FOUND (GB) 1996-08-14 EP disclosed
EP-0719244-A1 PROCESS OF PREPARING 2,3,5-TRIHALOBENZALDEHYDE THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-03 EP disclosed
EP-0715851-A2 Substituted phenylpyrimidine derivatives, useful in the treatment of prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-12 EP disclosed
EP-0713703-A2 Substituted phenylpyrimidine derivatives, useful in the treatment or prevention of CNS disorders THE WELLCOME FOUNDATION LIMITED (GB) 1996-05-29 EP disclosed
CN-1117046-A Method for preparing pharmaceutically active CNS compounds WELLCOME FOUND (GB) 1996-02-21 CN disclosed
EP-0679645-A1 Pharmacologically active CNS pyridmidin compounds THE WELLCOME FOUNDATION LIMITED (GB) 1995-11-02 EP disclosed
WO-1995007877-A1 PROCESS OF PREPARING 2,3,5-TRIHALOBENZALDEHYDE THE WELLCOME FOUNDATION LIMITED (GB) 1995-03-23 WO disclosed
US-5136080-A Intermediates for glutamate inhibitors BURROUGHS WELLCOME CO. (US) 1992-08-04 US disclosed
EP-0459819-A2 Pharmacologically active CNS compound THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-04 EP disclosed
EP-0372934-A2 Pharmacologically active CNS compounds THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-13 EP 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-20030044845-A1 Novel therapeutic agents for membrane transporters SLC47A2, SLC8B1, SLC47A1 GABRA1 743/4885GABRG2 650/4885GABRB3 395/4885

“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.