SCHEMBL3992133

SCHEMBL3992133

O=C(CCc1ccco1)Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
HTT P42858 1/20 0.60
NTRK1 P04629 1/20 0.57
POLB P06746 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 4/20 0.51
LMNA P02545 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 2/20 0.50
TNKS2 Q9H2K2 1/20 0.50
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL13847319 0.81 ALDH1A1 (0.51) MAPTHTTNTRK1POLBGAA
SCHEMBL28635197 0.80 ALDH1A1 (0.57) MAPTPOLBL3MBTL1ALDH1A1LMNA
SCHEMBL20705593 0.78 ALDH1A1 (0.62) MAPTHTTPOLBL3MBTL1GAA
SCHEMBL4418032 0.78 NTRK1 (0.48) MAPTNTRK1POLBL3MBTL1GAA
SCHEMBL9293207 0.78 ALDH1A1 (0.49) MAPTNTRK1POLBL3MBTL1GAA
SCHEMBL236223 0.77 ALDH1A1 (0.54) MAPTHTTNTRK1POLBL3MBTL1
SCHEMBL3342586 0.76 L3MBTL1 (0.80) MAPTHTTL3MBTL1ALDH1A1KDM4E
SCHEMBL3061430 0.75 MAPT (1.00) MAPTHTTGAALMNARAB9A
Hydrochloric Acid SCHEMBL27401794 0.75 ALDH1A1 (0.52) MAPTHTTNTRK1POLBL3MBTL1
SCHEMBL11011624 0.75 ALDH1A1 (0.48) MAPTNTRK1POLBL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101460223-A Quinolones as Inducible Nitric Oxide Synthase Inhibitors KALYPSYS INC (US) 2009-06-17 CN disclosed
WO-2007117778-A9 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS INC (US) 2009-05-22 WO disclosed
EP-1986747-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS Kalypsys, Inc. (US) 2008-11-05 EP disclosed
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2008-06-12 US disclosed
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2008-06-12 US disclosed
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2008-06-12 US disclosed
WO-2007117778-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2007-10-18 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-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS NOS2, NOS1, NQO2 MAPT 4128/4885HTT 4495/4885NTRK1 3777/4885

“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.