SCHEMBL1268684

SCHEMBL1268684

CCCCc1cc(N)nnc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 0.44
NOS2 P35228 2/20 0.40
TLR8 Q9NR97 3/20 0.39
CTRC Q99895 1/20 0.35
TYR P14679 1/20 0.34

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
SCHEMBL7829368 0.93 TLR8 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7829823 0.89 NOS2 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1268563 0.81 TDP1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5567705 0.76 TDP1 (0.38) GABRA2GABRB2TLR8CTRCTYR
SCHEMBL7832727 0.74 ALOX5 (0.40) GABRA2GABRB2TLR8TYRTDP1
SCHEMBL7831257 0.72 NOS2 (0.38) GABRA1GABRB2NOS2TDP1NOS3
SCHEMBL7832945 0.68 TDP1 (0.41) ALDH1A1TDP1
SCHEMBL27371741 0.67 CTRC (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13040091 0.67 TYR (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL833088 0.66 SKP2 (0.47) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893077-B2 Bisaryl-sulfonamides AMGEN INC. (US) 2011-02-22 US disclosed
US-7893077-B2 Bisaryl-sulfonamides AMGEN INC. (US) 2011-02-22 US disclosed
US-7893077-B2 Bisaryl-sulfonamides AMGEN INC. (US) 2011-02-22 US disclosed
EP-1786782-B1 BISARYL-SULFONAMIDES AMGEN INC (US) 2010-03-31 EP disclosed
EP-1786782-B1 BISARYL-SULFONAMIDES AMGEN INC (US) 2010-03-31 EP disclosed
US-20090221584-A1 Bisaryl-sulfonamides AMGEN INC. 2009-09-03 US disclosed
US-20090221584-A1 Bisaryl-sulfonamides AMGEN INC. 2009-09-03 US disclosed
US-20090221584-A1 Bisaryl-sulfonamides AMGEN INC. 2009-09-03 US disclosed
US-7544702-B2 Bisaryl-sulfonamides AMGEN INC. (US) 2009-06-09 US disclosed
US-7544702-B2 Bisaryl-sulfonamides AMGEN INC. (US) 2009-06-09 US disclosed
US-7544702-B2 Bisaryl-sulfonamides AMGEN INC. (US) 2009-06-09 US disclosed
EP-1786782-A2 BISARYL-SULFONAMIDES Amgen Inc. (US) 2007-05-23 EP disclosed
US-20060084802-A1 Bisaryl-sulfonamides AMGEN INC. 2006-04-20 US disclosed
WO-2006020830-A2 BISARYL-SULFONAMIDES AMGEN INC. (US) 2006-02-23 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-20090221584-A1 Bisaryl-sulfonamides PPARD, PPARA, PPARG GABRP 578/4885GABRD 537/4885GABRA1 888/4885
US-20060084802-A1 Bisaryl-sulfonamides PPARD, PPARA, PPARG GABRP 578/4885GABRD 537/4885GABRA1 888/4885

“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.