SCHEMBL127368

SCHEMBL127368

Cc1cc(=O)[nH]c(=O)n1Cc1c(F)cccc1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYMP P19971 6/20 0.45
S1PR4 O95977 2/20 0.41
S1PR1 P21453 2/20 0.41
S1PR5 Q9H228 2/20 0.41
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CA12 O43570 1/20 0.39
ROCK2 O75116 1/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 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
SCHEMBL12727250 0.93 TYMP (0.42) TYMPS1PR4S1PR1S1PR5JAK2
SCHEMBL1641839 0.88 GNRHR (0.40) TYMPCYP3A4HPGDTSHR
SCHEMBL29807981 0.88 GNRHR (0.40) TYMPCYP3A4HPGDTSHR
SCHEMBL7644570 0.88 ALDH1A1 (0.44) TYMPS1PR4S1PR1S1PR5JAK2
SCHEMBL172575 0.79 MAPT (0.44) JAK2JAK3ALDH1A1CA12ROCK2
SCHEMBL4480638 0.78 HPGD (0.66) TYMPALDH1A1CYP3A4HPGDKMT2A
SCHEMBL6615985 0.77 JAK2 (0.40) JAK2JAK3ALDH1A1CA12ROCK2
SCHEMBL124962 0.74 ALDH1A1 (0.51) S1PR4S1PR1S1PR5ALDH1A1HPGD
SCHEMBL12648501 0.74 GNRHR (0.37) S1PR4S1PR1S1PR5JAK2JAK3
SCHEMBL23577962 0.72 FABP4 (0.38) CYP3A4

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 TYMP 2312/4885S1PR4 492/4885S1PR1 453/4885
US-20020132820-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR TYMP 2309/4885S1PR4 401/4885S1PR1 430/4885
US-20040048884-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR TYMP 2309/4885S1PR4 401/4885S1PR1 430/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR TYMP 2312/4885S1PR4 492/4885S1PR1 453/4885

“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.