SCHEMBL4760076

SCHEMBL4760076

COc1cnc2cccc(C(O)CN3CCC(NS(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.57
MCHR1 Q99705 1/20 0.48
PKM P14618 4/20 0.44
PKLR P30613 4/20 0.44
SLC2A1 P11166 7/20 0.43
HTR1A P08908 2/20 0.42
HTR7 P34969 2/20 0.42
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL13014321 0.87 TSHR (0.46) KCNH2MCHR1SLC2A1HTR1ASMN1; SMN2
SCHEMBL13014338 0.84 SLC2A1 (0.60) KCNH2SLC2A1HTR7
SCHEMBL3775156 0.84 KCNH2 (0.79) KCNH2SLC2A1
SCHEMBL4758370 0.84 KCNH2 (0.58) KCNH2MCHR1SLC2A1
SCHEMBL3786610 0.81 KCNH2 (0.74) KCNH2SLC2A1
SCHEMBL13014330 0.81 SLC2A1 (0.42) KCNH2MCHR1SLC2A1HTR1AHTR7
SCHEMBL3779600 0.81 KCNH2 (0.63) KCNH2SLC2A1
SCHEMBL3775094 0.81 KCNH2 (0.53) KCNH2SLC2A1ALDH1A1MAPTHTT
SCHEMBL3780005 0.78 KCNH2 (0.56) KCNH2SLC2A1HTR1AALDH1A1MAPT
SCHEMBL3784581 0.76 KCNH2 (0.62) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
EP-1943222-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2008-07-16 EP disclosed
WO-2007042325-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2007-04-19 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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B KCNH2 3216/4885MCHR1 4767/4885PKM 3138/4885

“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.