SCHEMBL6477086

SCHEMBL6477086

O=c1[nH]nc(Cc2c(F)cccc2F)c(=S)n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.51
ALDH1A1 P00352 5/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 4/20 0.38
RXFP1 Q9HBX9 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
GNRHR P30968 1/20 0.37
CYP2C9 P11712 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
HSP90AA1 P07900 3/20 0.35
GAA P10253 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL6476570 0.87 AR (0.53) ARALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL6476891 0.68 AR (0.47) ARALDH1A1L3MBTL1HPGDGNRHR
SCHEMBL5429685 0.66 ALDH1A1 (0.59) ALDH1A1HPGDAPOBEC3GCYP2C9MAPT
SCHEMBL16433913 0.65 GAA (0.46) ALDH1A1NPC1RAB9AL3MBTL1HPGD
SCHEMBL8603151 0.64 ALDH1A1 (0.67) ALDH1A1NPC1RAB9AL3MBTL1HPGD
SCHEMBL3520528 0.63 L3MBTL1 (0.66) ALDH1A1NPC1RAB9AL3MBTL1CYP2C9
SCHEMBL8178332 0.63 GSK3A (0.50) ALDH1A1NPC1RAB9AL3MBTL1HPGD
SCHEMBL2619291 0.62 CYP1A2 (0.49) ALDH1A1NPC1RAB9AL3MBTL1GAA
SCHEMBL5425983 0.62 ALDH1A1 (0.67) ALDH1A1HPGDAPOBEC3GCYP2C9MAPT
SCHEMBL6477952 0.62 GNRHR (0.52) ARGNRHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951858-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-10-04 US disclosed
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-04-07 US disclosed
EP-1414808-A1 1,2,4-TRIAZIN-3,5-DIONES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR (GNRH) ANTAGONISTS Neurocrine Biosciences, Inc. (US) 2004-05-06 EP disclosed
US-6673796-B2 SEXUAL DISORDERS NEUROCRINE BIOSCIENCES, INC. 2004-01-06 US disclosed
US-20030114455-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2003-06-19 US disclosed
WO-2003011841-A1 1,2,4-TRIAZIN-3,5-DIONES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR (GNRH) ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2003-02-13 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 (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-20030114455-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR AR 57/4885ALDH1A1 2856/4885NPC1 1254/4885
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, LHCGR, GHRHR AR 50/4885ALDH1A1 3063/4885NPC1 1170/4885

“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.