SCHEMBL3696071

SCHEMBL3696071

COc1ccc2nccc(C(O)CN3CCCCC3CNCC=Cc3ccco3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.43
SLC2A1 P11166 8/20 0.42
CYP2D6 P10635 4/20 0.38
SLC22A1 O15245 3/20 0.38
ABCB11 O95342 3/20 0.38
ABCB1 P08183 3/20 0.38
ADRA2A P08913 3/20 0.38
SLC6A4 P31645 3/20 0.38
OPRM1 P35372 3/20 0.38
SCN1A P35498 3/20 0.38
SCN2A Q99250 3/20 0.38
SCN3A Q9NY46 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.38
SLC22A2 O15244 2/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 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
SCHEMBL3700635 0.89 SLC2A1 (0.45) KCNH2SLC2A1CYP2D6SLC22A1ABCB11
SCHEMBL3700630 0.89 SLC2A1 (0.45) KCNH2SLC2A1CYP2D6SLC22A1ABCB11
SCHEMBL3688299 0.87 KCNH2 (0.47) KCNH2SLC2A1CYP2D6SLC22A1ABCB11
SCHEMBL3688295 0.87 KCNH2 (0.47) KCNH2SLC2A1CYP2D6SLC22A1ABCB11
SCHEMBL5738322 0.81 KCNH2 (0.61) KCNH2SLC2A1
SCHEMBL3690676 0.79 KCNH2 (0.51) KCNH2SLC2A1CYP2D6ADRA2ASLC6A4
SCHEMBL3688107 0.79 KCNH2 (0.47) KCNH2SLC2A1CYP2D6SLC22A1ABCB11
SCHEMBL3694553 0.79 KCNH2 (0.47) KCNH2SLC2A1CYP2D6SLC22A1ABCB11
SCHEMBL3690386 0.79 SLC2A1 (0.50) KCNH2SLC2A1CYP2D6SLC22A1ABCB11
SCHEMBL5650170 0.77 KCNH2 (0.68) KCNH2SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 EP disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-20060040949-A1 Novel compounds with antibacterial activity MORPHOCHEM AG 2006-02-23 US 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-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 KCNH2 2411/4885SLC2A1 4070/4885CYP2D6 1401/4885

“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.