SCHEMBL5211581

SCHEMBL5211581

Cc1cc(C)c(N)c(C#N)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 6/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 4/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
HAVCR2 Q8TDQ0 1/20 0.35
XBP1 P17861 1/20 0.35
LMNA P02545 1/20 0.34
GRM6 O15303 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
UPP1 Q16831 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL22146590 0.83 KDM4E (0.41) KDM4EALDH1A1TSHRTDP1HTT
SCHEMBL11039790 0.83 KDM4E (0.41) KDM4EALDH1A1CYP3A4TSHRTDP1
SCHEMBL11040427 0.83 KDM4E (0.41) KDM4EALDH1A1TSHRHTTMAPT
SCHEMBL18316505 0.82 KDM4E (0.48) KDM4EALDH1A1CYP3A4TSHRTDP1
SCHEMBL30439550 0.82 KDM4E (0.48) KDM4EALDH1A1CYP3A4TSHRTDP1
SCHEMBL11132382 0.78 KDM4E (0.54) KDM4EALDH1A1CYP3A4TSHRTDP1
SCHEMBL13677558 0.78 KDM4E (0.43) KDM4EALDH1A1TDP1MAPTHPGD
SCHEMBL18330714 0.74 KDM4E (0.41) KDM4EALDH1A1CYP3A4TSHRTDP1
SCHEMBL8135367 0.73 KDM4E (0.43) KDM4EALDH1A1TDP1MAPTHPGD
SCHEMBL21425496 0.73 UPP1 (0.41) KDM4EALDH1A1TDP1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1533311-B1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC (US) 2007-04-25 EP disclosed
EP-1533311-B1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC (US) 2007-04-25 EP disclosed
EP-1533311-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. (US) 2005-05-25 EP disclosed
EP-1244657-B1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC (US) 2004-12-29 EP disclosed
US-6686382-B2 N-(ISOXAZOLYL)THIENYLSULFONAMIDES, N-(ISOXAZOLYL)FURYLSULFONAMIDES, N-(ISOXAZOLYL)PYRROLYLSULFONAMIDES AND N-(ISOXAZOLYL)PHENYLSULFONAMIDES; INHIBIT ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC. 2004-02-03 US disclosed
EP-1244657-A2 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-10-02 EP disclosed
US-20010056183-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION 2001-12-27 US disclosed
WO-2001049685-A2 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 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 (1 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-20010056183-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, ECE1 KDM4E 2262/4885ALDH1A1 4647/4885CYP3A4 2569/4885

“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.