SCHEMBL6328764

SCHEMBL6328764

CCCCNCc1nc2ccccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
BCHE P06276 1/20 0.60
TRPC3 Q13507 1/20 0.60
TRPC4 Q9UBN4 1/20 0.60
TRPC5 Q9UL62 1/20 0.60
DDAH1 O94760 1/20 0.58
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 2/20 0.52
SPHK2 Q9NRA0 1/20 0.51
SPHK1 Q9NYA1 1/20 0.51
SLC40A1 Q9NP59 1/20 0.49
HTT P42858 1/20 0.49
HRH4 Q9H3N8 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL370673 0.87 PKM (0.67) PKMBCHEDDAH1POLBSMN1; SMN2
SCHEMBL11360890 0.85 PKM (0.56) PKMDDAH1POLBRAB9ASLC40A1
SCHEMBL825211 0.84 PKM (0.59) PKMBCHEDDAH1POLBRAB9A
SCHEMBL8443937 0.84 PKM (0.68) PKMBCHEDDAH1POLBSMN1; SMN2
SCHEMBL19012922 0.84 PKM (0.55) PKMDDAH1POLBRAB9ASLC40A1
SCHEMBL31734838 0.84 PKM (0.71) PKMBCHEDDAH1POLBSMN1; SMN2
SCHEMBL711507 0.84 PKM (0.71) PKMBCHEDDAH1POLBSMN1; SMN2
SCHEMBL21784319 0.82 PKM (0.54) PKMDDAH1POLBSMN1; SMN2RAB9A
SCHEMBL21784357 0.82 PKM (0.54) PKMDDAH1POLBSMN1; SMN2NPC1
SCHEMBL18661211 0.82 PKM (0.54) PKMDDAH1POLBSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017068089-A2 NOVEL FERROPORTIN INHIBITORS VIFOR (INTERNATIONAL) AG (CH) 2017-04-27 WO disclosed
US-6906075-B2 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues NEUROGEN CORP. (US) 2005-06-14 US disclosed
EP-1465888-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED BENZOIMIDAZOLE ANALOGUES NEUROGEN CORPORATION (US) 2004-10-13 EP disclosed
US-20030216390-A1 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues NEUROGEN CORPORATION 2003-11-20 US disclosed
WO-2003059289-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED BENZOIMIDAZOLE ANALOGUES NEUROGEN CORPORATION (US) 2003-07-24 WO disclosed
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-20020032187-A1 Method for stimulating bone formation SMITHKLINE BEECHAM CORPORATION 2002-03-14 US disclosed
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 WO disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 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-20030216390-A1 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues MCHR1, MCHR2, MC1R PKM 749/4885BCHE 1917/4885TRPC3 2384/4885
US-20020032187-A1 Method for stimulating bone formation BMP2, BMP4, SOST PKM 4426/4885BCHE 1606/4885TRPC3 2265/4885

“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.