SCHEMBL13089686

SCHEMBL13089686

O=C(CCCCN1CCC(N2CCCCC2)CC1)CCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
BLM P54132 1/20 0.52
SIGMAR1 Q99720 2/20 0.50
ABCB1 P08183 6/20 0.49
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL3 Q96JM7 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48

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
SCHEMBL5201062 0.81 ALDH1A1 (0.59) ALDH1A1SIGMAR1L3MBTL3L3MBTL1
SCHEMBL20922739 0.79 SIGMAR1 (0.65) SIGMAR1MAPTL3MBTL3L3MBTL1
SCHEMBL17598264 0.78 SMN1; SMN2 (0.61) ALDH1A1MAPTL3MBTL3L3MBTL1
SCHEMBL27717752 0.76 SMN1; SMN2 (0.55) ALDH1A1
SCHEMBL27717893 0.76 SMN1; SMN2 (0.55) ALDH1A1
SCHEMBL27739137 0.75 HTR7 (0.56) ALDH1A1
SCHEMBL17549652 0.75 ALDH1A1 (0.73) ALDH1A1SIGMAR1MAPTL3MBTL3L3MBTL1
SCHEMBL13089690 0.74 L3MBTL1 (0.54) L3MBTL3L3MBTL1
SCHEMBL4236906 0.74 L3MBTL3 (0.61) MAPTL3MBTL3L3MBTL1
SCHEMBL20922550 0.73 L3MBTL3 (0.61) L3MBTL3L3MBTL1

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 ALDH1A1 2506/4885BLM 618/4885SIGMAR1 188/4885

“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.