SCHEMBL4168798

SCHEMBL4168798

ClC/C=C/c1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
PYGL P06737 11/20 0.47
CHAT P28329 1/20 0.47
GRIK1 P39086 1/20 0.45
GRIK2 Q13002 1/20 0.45
KDM4A O75164 1/20 0.42
KDM4B O94953 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP1B1 Q16678 1/20 0.41
GUSB P08236 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39

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
SCHEMBL4168803 1.00 ALDH1A1 (0.50) ALDH1A1PYGLCHATGRIK1GRIK2
SCHEMBL14747972 0.82 PTGS1 (0.38) ALDH1A1PYGLCHATGRIK1GRIK2
SCHEMBL10973255 0.81 ALDH1A1 (0.64) ALDH1A1PYGLCHATKDM4AKDM4B
SCHEMBL10973260 0.81 ALDH1A1 (0.64) ALDH1A1PYGLCHATKDM4AKDM4B
SCHEMBL3743993 0.81 ALDH1A1 (0.57) ALDH1A1PYGLCHATGRIK1GRIK2
SCHEMBL2004806 0.81 ALDH1A1 (0.57) ALDH1A1PYGLCHATGRIK1GRIK2
SCHEMBL9493681 0.81 ALDH1A1 (0.48) ALDH1A1PYGLCHATGRIK1GRIK2
SCHEMBL2092421 0.81 ALDH1A1 (0.54) ALDH1A1PYGLCHATGRIK1GRIK2
SCHEMBL2092419 0.81 ALDH1A1 (0.54) ALDH1A1PYGLCHATGRIK1GRIK2
SCHEMBL256052 0.81 CHAT (0.50) ALDH1A1PYGLCHATGRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-03-19 US claimed
US-5196607-A Process for preparing ketone enantiomer PFIZER INC. (US) 1993-03-23 US claimed
US-20090176851-A1 Use of Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-07-09 US disclosed
US-20090176851-A1 Use of Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-07-09 US disclosed
US-20090176851-A1 Use of Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-07-09 US disclosed
US-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
WO-2007091948-A2 NOVEL SPIRO [IMIDAZOLIDINE-4, 3´-INDOLE] 2, 2´,5´(1H) TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 ASTRAZENECA AB (SE) 2007-08-16 WO disclosed
WO-2007091946-A1 USE OF SPIRO [ IMIDAZOLIDINE-4, 3'-INDOLE] 2, 2', 5' (1H) TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 ASTRAZENECA AB (SE) 2007-08-16 WO disclosed
EP-0720605-B1 AMINOCYCLOHEXYLESTERS AND USES THEREOF UNIV BRITISH COLUMBIA (CA) 2001-12-19 EP disclosed
US-5885984-A BLOCKADE OF ION CHANNELS AND THE TREATMENT OF ARRHYTHMIAS. UNIVERSITY OF BRITISH COLUMBIA (CA) 1999-03-23 US disclosed
US-5637583-A ANTIARRHYTHMIA AGENTS UNIVERSITY OF BRITISH COLUMBIA (CA) 1997-06-10 US disclosed
EP-0720605-A1 AMINOCYCLOHEXYLESTERS AND USES THEREOF UNIVERSITY OF BRITISH COLUMBIA (CA) 1996-07-10 EP disclosed
WO-1995008544-A1 AMINOCYCLOHEXYLESTERS AND USES THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 1995-03-30 WO disclosed
US-5196607-A Process for preparing ketone enantiomer PFIZER INC. (US) 1993-03-23 US disclosed
US-5196607-A Process for preparing ketone enantiomer PFIZER INC. (US) 1993-03-23 US disclosed
US-4874861-A Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, nematicidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1989-10-17 US disclosed
US-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 US disclosed
EP-0183212-A2 Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, nematicidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-06-04 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 (2 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-20090176851-A1 Use of Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 TRPV1, TRPV2, TRPV3 ALDH1A1 502/4885PYGL 3080/4885CHAT 4498/4885
US-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 TRPV1, TRPV5, TRPV2 ALDH1A1 550/4885PYGL 3549/4885CHAT 4683/4885

“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.