SCHEMBL10249311

SCHEMBL10249311

O=[N+]([O-])c1ccc(Cl)cc1Sc1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 14/20 1.00
PDE7B Q9NP56 5/20 0.78
PDE4B Q07343 2/20 0.78
PDE4D Q08499 2/20 0.78
KMT2A Q03164 3/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 2/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL4963975 0.87 PDE7A (0.82) PDE7APDE7BPDE4BPDE4DKMT2A
SCHEMBL28405 0.84 PDE7A (0.77) PDE7APDE7BPDE4BPDE4DKMT2A
SCHEMBL19041386 0.82 PDE7A (0.69) PDE7APDE7BPDE4BPDE4DKMT2A
SCHEMBL22815433 0.82 PDE7A (0.74) PDE7APDE7BPDE4BPDE4DKMT2A
SCHEMBL641092 0.78 PDE7A (0.63) PDE7APDE7BPDE4BPDE4DKMT2A
SCHEMBL6968494 0.75 ALDH1A1 (0.64) PDE7APDE7BPDE4BPDE4DKMT2A
SCHEMBL2962041 0.74 PDE7A (0.65) PDE7APDE7BPDE4BPDE4DKMT2A
SCHEMBL2545546 0.74 MAPK1 (0.58) PDE7APDE7BPDE4BPDE4DKMT2A
SCHEMBL11187640 0.74 PDE7A (0.58) PDE7APDE7BPDE4BPDE4DKMT2A
SCHEMBL306834 0.74 PDE7A (0.62) PDE7APDE7BPDE4BPDE4DKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080351-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. 2015-03-19 US disclosed
US-20150080351-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. 2015-03-19 US disclosed
US-20130267492-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2013-10-10 US disclosed
US-20130267492-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2013-10-10 US disclosed
US-20120014997-A1 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-01-19 US disclosed
US-20120014997-A1 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-01-19 US disclosed
US-20090163498-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-06-25 US disclosed
US-20090163498-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-06-25 US disclosed
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 US disclosed
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 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 (4 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-20120014997-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 PDE7A 2403/4885PDE7B 3662/4885PDE4B 3207/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 PDE7A 2403/4885PDE7B 3662/4885PDE4B 3207/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 PDE7A 2403/4885PDE7B 3662/4885PDE4B 3207/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 PDE7A 2403/4885PDE7B 3662/4885PDE4B 3207/4885

“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.