SCHEMBL13356363

SCHEMBL13356363

O=C(CCc1ccccc1)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.80
HTT P42858 2/20 0.80
TOP2A P11388 1/20 0.70
TOP2B Q02880 1/20 0.70
ROCK2 O75116 1/20 0.70
LMNA P02545 1/20 0.69
GAA P10253 2/20 0.68
RAB9A P51151 2/20 0.68
HDAC3 O15379 3/20 0.66
HDAC4 P56524 3/20 0.66
HDAC1 Q13547 3/20 0.66
HDAC7 Q8WUI4 3/20 0.66
HDAC2 Q92769 3/20 0.66
HDAC10 Q969S8 3/20 0.66
HDAC11 Q96DB2 3/20 0.66
HDAC8 Q9BY41 3/20 0.66
HDAC6 Q9UBN7 3/20 0.66
HDAC9 Q9UKV0 3/20 0.66
HDAC5 Q9UQL6 3/20 0.66
TSHR P16473 1/20 0.66

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
SCHEMBL28194557 0.91 MAPT (0.66) MAPTHTTTOP2ATOP2BROCK2
SCHEMBL28551231 0.91 MAPT (0.71) MAPTHTTTOP2ATOP2BROCK2
SCHEMBL4530179 0.89 LMNA (0.83) MAPTHTTTOP2ATOP2BROCK2
SCHEMBL3061430 0.89 MAPT (1.00) MAPTHTTLMNAGAARAB9A
Hydrochloric Acid SCHEMBL27689202 0.87 MAPT (0.96) MAPTHTTLMNAGAARAB9A
SCHEMBL27671467 0.86 MAPT (0.86) MAPTHTTLMNAGAARAB9A
SCHEMBL11705109 0.86 TRPV1 (0.82) MAPTHTTTOP2ATOP2BLMNA
Methyl Alcohol SCHEMBL4593446 0.86 MAPT (0.93) MAPTHTTLMNAGAARAB9A
SCHEMBL10198474 0.85 MAPT (0.77) MAPTHTTLMNAGAARAB9A
SCHEMBL3678030 0.85 MAPT (0.77) MAPTHTTLMNAGAARAB9A

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-2099762-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-05-12 EP disclosed
US-20100069366-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (NJ) 2010-03-18 US disclosed
US-20100069366-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (NJ) 2010-03-18 US disclosed
WO-2008068266-A1 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-20100069366-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES NQO2, NDUFB5, NDUFB7 MAPT 3969/4885HTT 3932/4885TOP2A 547/4885

“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.