SCHEMBL2431114

SCHEMBL2431114

O=C(NCCC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.69
RAB9A P51151 6/20 0.69
SMN1; SMN2 Q16637 4/20 0.66
CSNK1D P48730 6/20 0.65
NCS1 P62166 1/20 0.65
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
NFKB1 P19838 3/20 0.60
NFKB2 Q00653 3/20 0.60
RELA Q04206 3/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
ACP1 P24666 2/20 0.55
PTPN7 P35236 1/20 0.55
PTPN12 Q05209 1/20 0.55
PTPN13 Q12923 1/20 0.55
SSU72 Q9NP77 1/20 0.55
POLB P06746 1/20 0.54
SCD O00767 1/20 0.54
ADORA1 P30542 1/20 0.53

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
SCHEMBL2791120 0.83 RAB9A (0.74) NPC1RAB9ASMN1; SMN2CSNK1DNCS1
SCHEMBL2792307 0.83 NPC1 (0.78) NPC1RAB9ASMN1; SMN2CSNK1DNCS1
SCHEMBL6905516 0.82 RAB9A (0.72) NPC1RAB9ASMN1; SMN2CSNK1DNCS1
SCHEMBL6228337 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2CSNK1DMEN1
SCHEMBL2790542 0.81 RAB9A (0.75) NPC1RAB9ASMN1; SMN2CSNK1DNCS1
SCHEMBL2790523 0.80 NPC1 (0.72) NPC1RAB9ASMN1; SMN2CSNK1DNCS1
SCHEMBL6229810 0.80 NPC1 (1.00) NPC1RAB9ASMN1; SMN2CSNK1DMEN1
SCHEMBL32674581 0.79 NPC1 (0.84) NPC1RAB9ASMN1; SMN2CSNK1DMEN1
SCHEMBL27634788 0.79 NPC1 (0.84) NPC1RAB9ASMN1; SMN2CSNK1DMEN1
SCHEMBL18541823 0.79 NPC1 (0.71) NPC1RAB9ASMN1; SMN2CSNK1DNCS1

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-1725522-B1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS GLAXOSMITHKLINE LLC (US) 2014-09-10 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
US-7514470-B2 Aniline derivatives as selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US 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
US-20070191479-A1 Aniline derivatives as selective androgen receptor modulators GLAXOSMITHKLINE LLC 2007-08-16 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 (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-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 NPC1 2414/4885RAB9A 3208/4885SMN1; SMN2 4451/4885
US-20070191479-A1 Aniline derivatives as selective androgen receptor modulators AR, NR3C2, NR5A1 NPC1 2753/4885RAB9A 4846/4885SMN1; SMN2 4842/4885

“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.