SCHEMBL3596326

SCHEMBL3596326

[c]1ccc(-c2ncccn2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.35
HDAC1 Q13547 1/20 0.35
CLK4 Q9HAZ1 3/20 0.33
ADRB2 P07550 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
PI4KA P42356 2/20 0.31
PI4KB Q9UBF8 2/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
CYP19A1 P11511 1/20 0.31
DYRK1A Q13627 1/20 0.31
HDAC4 P56524 1/20 0.30
PIK3CD O00329 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
SCHEMBL295633 0.77 KDM4E (0.57) CYP2A6HDAC1KDM4ENPC1GLA
SCHEMBL27657404 0.72 MAP4K4 (0.42) NPC1MAPTRAB9API4KAPI4KB
SCHEMBL5917511 0.72 NPC1 (0.36) KDM4ENPC1MAPTRAB9A
SCHEMBL3539250 0.70 KDM4E (0.48) KDM4ENPC1MAPTRAB9A
SCHEMBL533520 0.70 PDPK1 (0.45) CYP2A6ADRB2RAB9ANOS1
SCHEMBL27657456 0.69 CA12 (0.43) KDM4EMAPT
SCHEMBL6381131 0.68 CYP2A6 (0.54) CYP2A6KDM4EMAPTDYRK1A
SCHEMBL27657394 0.68 NPC1 (0.61) KDM4ENPC1MAPTRAB9ADYRK1A
SCHEMBL27657415 0.68 ALDH1A1 (0.45) NPC1RAB9ADYRK1A
SCHEMBL3608538 0.67 LTA4H (0.42) HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027362-B1 2-HALO-6-O-SUBSTITUTED KETOLIDE DERIVATIVES ABBOTT LAB (US) 2005-06-29 EP claimed
US-8642642-B2 Heterocyclic arylsulphones suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT LABORATORIES (US) 2014-02-04 US disclosed
US-8497273-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-07-30 US disclosed
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2010-02-25 US disclosed
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-12-10 US disclosed
EP-2074110-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-07-01 EP disclosed
EP-2029528-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-03-04 EP disclosed
WO-2007118900-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
WO-2007118899-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
CN-1240707-C 2-Halo-6-0-substituted ketolide derivatives ABBOTT LAB (US) 2006-02-08 CN disclosed
EP-1027362-B1 2-HALO-6-O-SUBSTITUTED KETOLIDE DERIVATIVES ABBOTT LAB (US) 2005-06-29 EP disclosed
CN-1283199-A 2-Halo-6-0-substituted ketolide derivatives ABBOTT LAB (US) 2001-02-07 CN disclosed
US-6124269-A NOVEL ERYTHROMYCIN DERIVATIVE ANTIBIOTIC EFFECTIVE AGAINST GRAM-NEGATIVE BACTERIA AND HAVING LESS POTENTIAL FOR DEVELOPING BACTERIAL DRUG RESISTANCE ABBOTT LABORATORIES (US) 2000-09-26 US disclosed
EP-1027362-A1 2-HALO-6-O-SUBSTITUTED KETOLIDE DERIVATIVES Abbott Laboratories (US) 2000-08-16 EP disclosed
WO-1999021871-A1 2-HALO-6-O-SUBSTITUTED KETOLIDE DERIVATIVES ABBOTT LABORATORIES (US) 1999-05-06 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 (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-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR5A CYP2A6 60/4885HDAC1 1194/4885CLK4 4546/4885
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR2C CYP2A6 153/4885HDAC1 1225/4885CLK4 4381/4885

“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.