SCHEMBL2428690

SCHEMBL2428690

NS(=O)(=O)CCNCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.54
▸ HRH1 P35367 2/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ MTNR1A P48039 1/20 0.45
▸ MTNR1B P49286 1/20 0.45
▸ CNR1 P21554 2/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ SMPD1 P17405 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ ADRA1A P35348 1/20 0.43

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
SCHEMBL7396037 0.81 HRH1 (0.52) HRH1HTR2AMTNR1AMTNR1BEPHX2
SCHEMBL11796932 0.81 KCNH2 (0.76) KCNH2HRH1HTR2AMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL11794831 0.79 KCNH2 (0.73) KCNH2HRH1HTR2AMTNR1AMTNR1B
SCHEMBL4204090 0.76 KCNH2 (0.65) KCNH2HRH1HTR2ACYP3A4CHRM2
SCHEMBL10045128 0.75 KCNH2 (0.75) KCNH2HRH1HTR2ACYP3A4CHRM2
SCHEMBL10045156 0.74 KCNH2 (0.72) KCNH2HRH1HTR2ASIGMAR1KDM1A
SCHEMBL10045174 0.74 KCNH2 (0.72) KCNH2HRH1HTR2ASIGMAR1KDM1A
SCHEMBL12329236 0.73 KCNH2 (0.47) KCNH2HRH1HTR2AMTNR1AMTNR1B
SCHEMBL23782538 0.73 MEN1 (0.59) CHRM2SIGMAR1MEN1KMT2A
SCHEMBL2432442 0.72 KCNH2 (0.63) KCNH2HRH1HTR2AMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2366698-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor Galapagos SAS (FR) 2011-09-21 — — EP disclosed
EP-2366698-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor Galapagos SAS (FR) 2011-09-21 — — EP disclosed
EP-2041103-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Galapagos SAS (FR) 2009-04-01 — — EP disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 — — US disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 — — US disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 — — US disclosed
WO-2008006625-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SAS (FR) 2008-01-17 — — WO disclosed
WO-2008006625-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SAS (FR) 2008-01-17 — — 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-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 KCNH2 1594/4885HRH1 163/4885HTR2A 2787/4885

“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.

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