SCHEMBL126983

SCHEMBL126983

C=CCn1c(=O)cc(C)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2B P29275 1/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.39
RGS12 O14924 1/20 0.37
USP2 O75604 1/20 0.37
TNNI3 P19429 1/20 0.37
TNNT2 P45379 1/20 0.37
TNNC1 P63316 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
APLNR P35414 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9420364 0.83 ALDH1A1 (0.46) KMT2ASMN1; SMN2CYP3A4HPGDKDM4E
SCHEMBL5440251 0.79 CYP3A4 (0.42) KMT2ASMN1; SMN2CYP3A4ADORA3ADORA2B
SCHEMBL7964576 0.79 KMT2A (0.53) KMT2ASMN1; SMN2CYP3A4ADORA3ADORA2B
SCHEMBL4771370 0.77 ALDH1A1 (0.53) KMT2ASMN1; SMN2CYP3A4KDM4EMEN1
SCHEMBL9414250 0.77 GAA (0.39) KMT2ASMN1; SMN2CYP3A4ADORA3ADORA2B
SCHEMBL8768828 0.76 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL12284152 0.75 KMT2A (0.47) KMT2ASMN1; SMN2CYP3A4ADORA3ADORA2B
SCHEMBL26948701 0.75 ALOX15 (0.40) KMT2ASMN1; SMN2CYP3A4ADORA3ADORA2B
SCHEMBL9756675 0.75 ALDH1A1 (0.49) KMT2ASMN1; SMN2CYP3A4ADORA3ADORA2B
SCHEMBL4467734 0.74 TSHR (0.43) SMN1; SMN2ADORA3ADORA2BHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-20050234082-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-10-20 US disclosed
US-6872728-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-03-29 US disclosed
US-20040048884-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2004-03-11 US disclosed
US-6608197-B2 Aminoalkyl-substituted pyrimidones NEUROCRINE BIOSCIENCES, INC. 2003-08-19 US disclosed
EP-1255738-A2 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO Neurocrine Biosciences, Inc. (US) 2002-11-13 EP disclosed
US-20020132820-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2002-09-19 US disclosed
WO-2001055119-A2 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2001-08-02 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 (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-20050234082-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR KMT2A 1311/4885SMN1; SMN2 4398/4885CYP3A4 1300/4885
US-20020132820-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR KMT2A 2140/4885SMN1; SMN2 4460/4885CYP3A4 1099/4885
US-20040048884-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR KMT2A 2140/4885SMN1; SMN2 4460/4885CYP3A4 1099/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR KMT2A 1311/4885SMN1; SMN2 4398/4885CYP3A4 1300/4885

“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.