SCHEMBL2837762

SCHEMBL2837762

O=C1OCCC1=CNc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.75
HSP90AB1 P08238 2/20 0.75
GAA P10253 3/20 0.72
MAPK1 P28482 1/20 0.72
NAMPT P43490 1/20 0.62
ALDH1A1 P00352 8/20 0.49
MAPT P10636 4/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 1/20 0.49
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
PKM P14618 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 2/20 0.43
GFER P55789 1/20 0.43
TP53 P04637 1/20 0.41
POLB P06746 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
SCHEMBL21067997 0.86 HSP90AA1 (1.00) HSP90AA1HSP90AB1GAAMAPK1NAMPT
SCHEMBL1310394 0.86 HSP90AA1 (1.00) HSP90AA1HSP90AB1GAAMAPK1NAMPT
SCHEMBL1310766 0.84 GAA (1.00) HSP90AA1HSP90AB1GAAMAPK1NAMPT
SCHEMBL4716799 0.80 ALDH1A1 (0.49) HSP90AA1HSP90AB1GAAMAPK1NAMPT
SCHEMBL13652557 0.79 HSP90AA1 (0.73) HSP90AA1HSP90AB1GAAMAPK1NAMPT
SCHEMBL1311373 0.79 HSP90AA1 (0.73) HSP90AA1HSP90AB1GAAMAPK1NAMPT
SCHEMBL6310657 0.72 ALDH1A1 (0.47) MAPK1ALDH1A1MAPTLMNAKDM4E
SCHEMBL6310661 0.72 ALDH1A1 (0.47) MAPK1ALDH1A1MAPTLMNAKDM4E
SCHEMBL2837763 0.70 RECQL (0.42) GAAALDH1A1MAPTLMNAKDM4E
SCHEMBL2834565 0.69 ALDH1A1 (0.51) ALDH1A1MAPTLMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170258784-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2017-09-14 US disclosed
US-9694006-B2 Use of pyrroloquinoline compounds to kill clinically latent microorganisms HELPERBY THERAPEUTICS LIMITED (GB) 2017-07-04 US disclosed
EP-1945211-B1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LTD (GB) 2015-10-21 EP disclosed
US-20120231995-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2012-09-13 US disclosed
US-8207187-B2 Use of pyrroloquinoline compounds to kill clinically latent microorganisms HELPERBY THERAPEUTICS LIMITED (GB) 2012-06-26 US disclosed
US-20100093691-A1 TOPICAL FORMULATIONS HELPERBY THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20090137622-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2009-05-28 US disclosed
EP-1945211-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS Helperby Therapeutics Limited (GB) 2008-07-23 EP disclosed
WO-2007054693-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2007-05-18 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 (4 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-20170258784-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL HSP90AA1 3247/4885HSP90AB1 3070/4885GAA 373/4885
US-20090137622-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL HSP90AA1 3247/4885HSP90AB1 3070/4885GAA 373/4885
US-20120231995-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL HSP90AA1 3247/4885HSP90AB1 3070/4885GAA 373/4885
US-20100093691-A1 TOPICAL FORMULATIONS DPM1, SUCLG1, LSS HSP90AA1 2577/4885HSP90AB1 2293/4885GAA 1301/4885

“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.