SCHEMBL6620928

SCHEMBL6620928

COc1cc(NCCCNCc2nc3ccccc3[nH]2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.50
TSHR P16473 1/20 0.46
MAPK10 P53779 1/20 0.46
POLB P06746 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
SLC40A1 Q9NP59 2/20 0.42
HSD17B10 Q99714 1/20 0.41
MCHR1 Q99705 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL6619967 0.82 MC1R (0.50) SLC2A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL6622297 0.78 SLC2A1 (0.50) SLC2A1MCHR1BCHEACHE
SCHEMBL6619693 0.77 SLC2A1 (0.61) SLC2A1POLBNPC1SMN1; SMN2KDM4E
SCHEMBL6607915 0.76 SLC2A1 (0.62) SLC2A1POLBNPC1SMN1; SMN2KDM4E
SCHEMBL6621120 0.76 SLC2A1 (0.48) SLC2A1MCHR1BCHEACHE
SCHEMBL7812693 0.75 SLC2A1 (0.61) SLC2A1SMN1; SMN2KDM4EACHE
Hydrochloric Acid SCHEMBL6607447 0.75 SLC2A1 (0.61) SLC2A1POLBNPC1SMN1; SMN2KDM4E
SCHEMBL7805481 0.74 SLC2A1 (0.60) SLC2A1SMN1; SMN2KDM4EACHE
SCHEMBL6623251 0.73 SLC2A1 (0.56) SLC2A1SMN1; SMN2TP53MCHR1BCHE
SCHEMBL6328764 0.73 PKM (0.60) POLBNPC1RAB9ASMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818655-B2 2-AMINOQUINOLINES; CARDIOVASCULAR, GASTROINTESTINAL, PYSCHOLOGICAL, RESPIRATORY AND NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM CORPORATION 2004-11-16 US claimed
EP-1359915-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM (US) 2004-07-21 EP claimed
US-20040063757-A1 Urotensin-ll receptor antagonists SMITHKLINEE BEECHAM CORPORATION 2004-04-01 US claimed
EP-1359915-A1 UROTENSIN-II RECEPTOR ANTAGONISTS Smithkline Beecham (US) 2003-11-12 EP claimed
WO-2002058702-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (GB) 2002-08-01 WO claimed
US-6818655-B2 2-AMINOQUINOLINES; CARDIOVASCULAR, GASTROINTESTINAL, PYSCHOLOGICAL, RESPIRATORY AND NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM CORPORATION 2004-11-16 US disclosed
EP-1359915-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM (US) 2004-07-21 EP disclosed
EP-1359915-A1 UROTENSIN-II RECEPTOR ANTAGONISTS Smithkline Beecham (US) 2003-11-12 EP disclosed
WO-2002058702-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (GB) 2002-08-01 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-20040063757-A1 Urotensin-ll receptor antagonists UTS2R, PLAUR, SCTR SLC2A1 3284/4885TSHR 739/4885MAPK10 4763/4885

“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.