SCHEMBL6375443

SCHEMBL6375443

Fc1ccc(-c2nc[c]s2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 2/20 0.40
NISCH Q9Y2I1 1/20 0.40
KMO O15229 2/20 0.39
BCHE P06276 1/20 0.36
KCNH2 Q12809 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CASP1 P29466 1/20 0.35
PIK3CA P42336 1/20 0.35
ABL1 P00519 1/20 0.35
PTGS2 P35354 4/20 0.35
PTGS1 P23219 2/20 0.35
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
RPA1 P27694 1/20 0.35
POLB P06746 1/20 0.34
HSD17B14 Q9BPX1 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
SCHEMBL2751565 0.84 AHR (0.46) KMO
SCHEMBL1149164 0.78 NOTUM (0.43) ADORA2AADORA1POLB
SCHEMBL5539715 0.74 KDM4E (0.41)
SCHEMBL2751040 0.74 TSHR (0.33) KMO
SCHEMBL21327902 0.72 KDM4E (0.47)
SCHEMBL14997974 0.71 NPC1 (0.47) EPHB4NISCHKMOBCHEABL1
SCHEMBL27683220 0.70 RAB9A (0.46) NISCH
SCHEMBL8649872 0.70 EPHB4 (0.40) EPHB4NISCHKMOBCHEKCNH2
SCHEMBL2752349 0.69 CDC7 (0.35) POLB
SCHEMBL6644015 0.68 KMO (0.46) EPHB4NISCHKMOADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080104-B1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME NOVARTIS AG (CH) 2005-02-09 EP claimed
US-6689801-B2 CARDIOVASCULAR DISORDERS; ANTIISCHEMIC AGENTS; HYPOTENSIVE AGENTS; GASTROINTESTINAL DISORDERS NOVARTIS AG (CH) 2004-02-10 US claimed
US-20030018057-A1 Certain heteroaryl substituted thiol inhibitors of endothelin-converting enzyme FINK CYNTHIA ANNE (US) 2003-01-23 US claimed
US-6426354-B1 CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS; BRAIN DISORDERS NOVARTIS AG (CH) 2002-07-30 US claimed
EP-1080104-A1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME Novartis AG (CH) 2001-03-07 EP claimed
WO-1999055723-A1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME NOVARTIS AG (CH) 1999-11-04 WO claimed
EP-1080104-B1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME NOVARTIS AG (CH) 2005-02-09 EP disclosed
US-6689801-B2 CARDIOVASCULAR DISORDERS; ANTIISCHEMIC AGENTS; HYPOTENSIVE AGENTS; GASTROINTESTINAL DISORDERS NOVARTIS AG (CH) 2004-02-10 US disclosed
US-20030018057-A1 Certain heteroaryl substituted thiol inhibitors of endothelin-converting enzyme FINK CYNTHIA ANNE (US) 2003-01-23 US disclosed
US-6426354-B1 CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS; BRAIN DISORDERS NOVARTIS AG (CH) 2002-07-30 US disclosed
EP-1080104-A1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME Novartis AG (CH) 2001-03-07 EP disclosed
WO-1999055723-A1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME NOVARTIS AG (CH) 1999-11-04 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 (1 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-20030018057-A1 Certain heteroaryl substituted thiol inhibitors of endothelin-converting enzyme ECE1, ECE2, EDNRB EPHB4 1040/4885NISCH 3300/4885KMO 1312/4885

“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.