SCHEMBL6605280

SCHEMBL6605280

COc1cc(NC(CN)C2CCCCC2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.50
MCHR1 Q99705 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.41
HPGD P15428 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
GRK6 P43250 1/20 0.39
MAPT P10636 2/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
HSP90AA1 P07900 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
DHODH Q02127 1/20 0.38

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
Hydrochloric Acid SCHEMBL6594516 0.99 SLC2A1 (0.49) SLC2A1MCHR1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6600313 0.86 SLC2A1 (0.39) SLC2A1MCHR1MEN1KMT2ASMN1; SMN2
SCHEMBL6908046 0.75 MCHR1 (0.41) SLC2A1MCHR1MEN1KMT2ASMN1; SMN2
SCHEMBL6621452 0.75 SLC2A1 (0.39) SLC2A1MCHR1MEN1KMT2ASMN1; SMN2
SCHEMBL7805323 0.71 SLC2A1 (0.69) SLC2A1MCHR1MEN1KMT2ASMN1; SMN2
SCHEMBL7978296 0.70 MCHR1 (0.62) SLC2A1MCHR1MEN1KMT2ASMN1; SMN2
SCHEMBL7978307 0.70 MCHR1 (0.62) SLC2A1MCHR1MEN1KMT2ASMN1; SMN2
SCHEMBL7978299 0.70 MCHR1 (0.62) SLC2A1MCHR1MEN1KMT2ASMN1; SMN2
SCHEMBL6605276 0.70 SLC2A1 (0.54) SLC2A1MCHR1MEN1KMT2ASMN1; SMN2
SCHEMBL7811044 0.70 SLC2A1 (0.54) SLC2A1MCHR1MEN1KMT2ASMN1; SMN2

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-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
US-20040063757-A1 Urotensin-ll receptor antagonists SMITHKLINEE BEECHAM CORPORATION 2004-04-01 US 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 3284/4885MCHR1 499/4885MEN1 3428/4885

“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.