SCHEMBL431316

SCHEMBL431316

Cc1ccc2c(OS(=O)(=O)C(F)(F)F)cccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR1A P08908 5/20 0.40
HTR1D P28221 5/20 0.40
HTR1B P28222 5/20 0.40
DRD2 P14416 5/20 0.37
DRD4 P21917 3/20 0.37
DRD3 P35462 3/20 0.37
HTR5A P47898 2/20 0.37
NCF1 P14598 1/20 0.37
NR3C1 P04150 1/20 0.36
ADRB2 P07550 1/20 0.36
HTR2A P28223 1/20 0.36
HTR1E P28566 1/20 0.36
HTR1F P30939 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR7 P34969 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL3139242 0.83 CA1 (0.35) ALDH1A1HTR1AHTR1DHTR1BDRD2
SCHEMBL13209743 0.82 CYP1A2 (0.47) MEN1POLBKMT2ANCF1CYP1A2
SCHEMBL426939 0.82 RAF1 (0.36) MEN1KMT2AHTR1DDRD2DRD4
SCHEMBL4175720 0.80 LMNA (0.42) ALDH1A1MEN1POLBKMT2A
SCHEMBL3580521 0.79 MEN1 (0.48) MEN1KMT2ACYP1A2
SCHEMBL3580231 0.79 DRD2 (0.36) HTR1DDRD2DRD4DRD3HTR5A
SCHEMBL15673030 0.78 CNR2 (0.36) HTR1DDRD2DRD4DRD3HTR5A
SCHEMBL481371 0.78 CLK1 (0.42) POLBNR3C1
SCHEMBL2880729 0.77 CYBB (0.33) KMT2AHTR1AHTR1DHTR1BDRD2
SCHEMBL203899 0.77 MEN1 (0.42) MEN1KMT2AHTR1DDRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
CN-101048414-B Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD 2011-09-07 CN disclosed
US-7964603-B2 Substituted tetrahydro-quinoline-sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-06-21 US disclosed
US-7964603-B2 Substituted tetrahydro-quinoline-sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-06-21 US disclosed
EP-2016943-B1 Substituted tetrahydro-quinoline-sulfonamide compounds, their preparation and use as medicaments ESTEVE LABOR DR (ES) 2011-02-23 EP disclosed
US-20100204273-A1 Quinoline and Quinazoline Derivatives Having Affinity for 5HT1-Type Receptors GLAXO GROUP LIMITED 2010-08-12 US disclosed
US-20100204273-A1 Quinoline and Quinazoline Derivatives Having Affinity for 5HT1-Type Receptors GLAXO GROUP LIMITED 2010-08-12 US disclosed
US-7732600-B2 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-7732600-B2 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
EP-2145622-A1 Quinoline and quinazoline derivatives having affinity for 5HT1-type receptors Glaxo Group Limited (GB) 2010-01-20 EP disclosed
US-20070167423-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED 2007-07-19 US disclosed
EP-1786822-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-23 EP disclosed
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 US disclosed
CN-1852896-A Quinoline and quinazoline derivatives having affinity for 5HT 1-type receptors GLAXO GROUP LTD (GB) 2006-10-25 CN disclosed
US-20060229312-A1 Quinoline and quinazoline derivatives having affinity for 5ht1-type receptors GLAXO GROUP LIMITED (GB) 2006-10-12 US disclosed
EP-1646613-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2006-04-19 EP disclosed
WO-2006024517-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-03-09 WO disclosed
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 EP disclosed
WO-2005014552-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2005-02-17 WO disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 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 (5 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-20100204273-A1 Quinoline and Quinazoline Derivatives Having Affinity for 5HT1-Type Receptors OPRK1, OPRL1, OPRD1 ALDH1A1 2366/4885MEN1 3652/4885POLB 2664/4885
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE ALDH1A1 257/4885MEN1 4304/4885POLB 1588/4885
US-20070167423-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS HTR1A, HTR1D, HTR1F ALDH1A1 1826/4885MEN1 692/4885POLB 3053/4885
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders XDH, CYP4X1, PDHX ALDH1A1 313/4885MEN1 2472/4885POLB 3219/4885
US-20060229312-A1 Quinoline and quinazoline derivatives having affinity for 5ht1-type receptors HTR1A, HTR1D, HTR1F ALDH1A1 1826/4885MEN1 692/4885POLB 3053/4885

“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.