SCHEMBL336686

SCHEMBL336686

COC(=O)c1ncc(CO)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
S1PR4 O95977 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
MAPK10 P53779 1/20 0.37
POLB P06746 2/20 0.37
ATM Q13315 2/20 0.37
KMT2A Q03164 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
RCE1 Q9Y256 1/20 0.35

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
SCHEMBL24661702 0.89 PDE4A (0.42) ALDH1A1S1PR4NPSR1TSHRMAPT
SCHEMBL7886384 0.86 BACE1 (0.40) ALDH1A1S1PR4NPSR1TSHRNPC1
SCHEMBL18760422 0.84 ALDH1A1 (0.48) ALDH1A1NPSR1TSHRNPC1RAB9A
SCHEMBL28280234 0.82 KDM4E (0.41) ALDH1A1NPSR1TSHRMAPTPOLB
SCHEMBL29796660 0.80 S1PR4 (0.46) ALDH1A1S1PR4NPSR1NPC1RAB9A
SCHEMBL1420843 0.80 S1PR4 (0.46) ALDH1A1S1PR4NPSR1NPC1RAB9A
SCHEMBL24661701 0.79 CHKA (0.43) ALDH1A1TSHRPOLBKMT2ASMN1; SMN2
SCHEMBL10009163 0.79 GRM5 (0.49) ALDH1A1TSHRNPC1RAB9AMAPT
SCHEMBL15900223 0.78 NPSR1 (0.42) ALDH1A1S1PR4NPSR1MAPTPOLB
SCHEMBL24661703 0.78 ATM (0.47) ALDH1A1S1PR4NPSR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
CN-102105473-B Tricyclic nitrogen containing compounds and their use as antibacterials GLAXO GROUP LTD 2013-05-08 CN disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
CN-102105473-A Tricyclic nitrogen containing compounds and their use as antibacterials GLAXO GROUP LTD 2011-06-22 CN disclosed
EP-2300476-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-03-30 EP disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 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-20090306089-A1 COMPOUNDS SDHA, NQO1, SDHB ALDH1A1 612/4885S1PR4 3597/4885NPSR1 1284/4885

“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.