SCHEMBL13089321

SCHEMBL13089321

O=C(CCCCN1CCCCCC1)c1ccc2ccccc2c1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
HTR1A P08908 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC8 Q9BY41 1/20 0.56
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 2/20 0.55
HRH3 Q9Y5N1 4/20 0.54

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
SCHEMBL1332779 0.90 ALDH1A1 (0.68) HTR1AALDH1A1KMT2A
SCHEMBL13440314 0.89 HRH3 (0.61) KDM4EL3MBTL1HTR1AHDAC1HRH3
SCHEMBL10257007 0.89 HTR1A (0.68) KDM4EHTR1AALDH1A1KMT2A
SCHEMBL13089690 0.88 L3MBTL1 (0.54) KDM4EL3MBTL1HTR1AHDAC1HDAC8
SCHEMBL13089319 0.88 KDM4E (0.53) KDM4EL3MBTL1HTR1AHDAC1HDAC8
SCHEMBL13443097 0.88 HRH3 (0.60) KDM4EL3MBTL1HTR1AHDAC1HDAC8
SCHEMBL11982948 0.87 HRH2 (0.56) KDM4EL3MBTL1HTR1AHDAC1HDAC8
SCHEMBL7389420 0.87 HDAC1 (0.56) KDM4EL3MBTL1HTR1AHDAC1HDAC8
SCHEMBL13089688 0.87 HTR1A (0.54) KDM4EL3MBTL1HTR1AHDAC1HDAC8
SCHEMBL28919774 0.84 HRH3 (0.67) KDM4EHTR1AALDH1A1HRH3

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
EP-2099761-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-10-27 EP disclosed
US-20100063026-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES VILLAPHARMA RESEARCH S.L. (ES) 2010-03-11 US disclosed
US-20100063026-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES VILLAPHARMA RESEARCH S.L. (ES) 2010-03-11 US disclosed
WO-2008068272-A2 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 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-20100063026-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES NQO2, NDUFB5, NDUFB7 KDM4E 4303/4885L3MBTL1 4258/4885HTR1A 2974/4885

“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.