SCHEMBL6631265

SCHEMBL6631265

Fc1ccccc1C1CSC(c2ccccc2Cl)=N1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
TAAR1 Q96RJ0 1/20 0.36
GNRHR P30968 1/20 0.36
KDM1A O60341 2/20 0.36
KDM1B Q8NB78 1/20 0.36
HTR2B P41595 2/20 0.35
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PPIA P62937 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PBRM1 Q86U86 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
KCNN4 O15554 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL7939474 0.74 TAAR1 (0.38) NOS3TAAR1KDM1AKDM1BHTR2B
SCHEMBL14095078 0.66 NPC1 (0.30) NPC1RAB9A
SCHEMBL8974385 0.62 CYP2A6 (0.50) TAAR1MEN1NPC1RAB9AKMT2A
SCHEMBL38651812 0.62 NOS3 (0.48) NOS3NOS2KDM1AKDM1BRXFP1
SCHEMBL9627687 0.61 TAAR1 (0.62) TAAR1DPP4
SCHEMBL13844319 0.61 DRD2 (0.39) TAAR1HTR2BMEN1NPC1RAB9A
SCHEMBL14457892 0.60 KDM4E (0.38) NOS3DPP4
SCHEMBL8063260 0.60 NOS3 (1.00) NOS3NOS2KDM1AKDM1B
SCHEMBL3619290 0.60 TAAR1 (0.72) TAAR1
SCHEMBL3619289 0.60 TAAR1 (0.72) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266765-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-30 US disclosed
US-6740656-B2 GNRH RECEPTOR ANTAGONISTS ARE DISCLOSED WHICH HAVE UTILITY IN THE TREATMENT OF A VARIETY OF SEX-HORMONE RELATED CONDITIONS IN BOTH MEN AND WOMEN. THE COMPOUNDS OF THIS INVENTION HAVE THE STRUCTURE:PRODRUGS, STEREOISOMERS AND DRUGS NEUROCRINE BIOSCIENCES, INC. 2004-05-25 US disclosed
EP-1412363-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS Neurocrine Biosciences, Inc. (US) 2004-04-28 EP disclosed
US-20030109535-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2003-06-12 US disclosed
WO-2003011870-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR 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-20040266765-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR NOS3 1025/4885NOS2 2476/4885TAAR1 563/4885
US-20030109535-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR NOS3 1025/4885NOS2 2476/4885TAAR1 563/4885

“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.