SCHEMBL3989669

SCHEMBL3989669

c1ccc(NCCc2ccco2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
KCNH3 Q9ULD8 2/20 0.50
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 3/20 0.47
MAPK1 P28482 3/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALOX15 P16050 2/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CHRM2 P08172 1/20 0.42
TRPC5 Q9UL62 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL3993712 0.89 ALDH1A1 (0.55) L3MBTL1KCNH3ALDH1A1MAPTTSHR
SCHEMBL26644571 0.84 ADRA2A (0.48) L3MBTL1KCNH3ALDH1A1MAPTTSHR
SCHEMBL2805209 0.80 ALDH1A1 (0.68) KCNH3ALDH1A1MAPTTSHRMAPK1
SCHEMBL9448609 0.74 NPC1 (0.56) L3MBTL1ALDH1A1MAPTTSHRMAPK1
SCHEMBL9483777 0.74 MAPT (0.58) L3MBTL1MAPTTSHRGAACHRM2
SCHEMBL7752508 0.74 CYP1A2 (0.58) L3MBTL1ALDH1A1MAPTLMNAGAA
SCHEMBL1488104 0.74
SCHEMBL1025241 0.74
SCHEMBL8146532 0.73 ALDH1A1 (0.54) ALDH1A1MAPTTSHRGAAKDM4E
SCHEMBL11849371 0.72 CHRM2 (0.69) ALDH1A1TSHRGAACHRM2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110550992-B Green synthesis method of amino alcohol compound under catalysis of visible light 杭州师范大学 2022-06-21 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
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 L3MBTL1 4630/4885KCNH3 3469/4885ALDH1A1 1044/4885

“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.