SCHEMBL456583

SCHEMBL456583

CCOC(=O)CCCN1CCc2c(C)nc3ccc(Oc4ccccc4)cc3c21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GRM4 Q14833 1/20 0.39
TOP2A P11388 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TNF P01375 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGS2 P35354 1/20 0.38
CCR8 P51685 1/20 0.38
PDGFRB P09619 1/20 0.37
SCN9A Q15858 1/20 0.37
FAAH O00519 1/20 0.37

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
Hydrochloric Acid SCHEMBL2834084 0.99 GAA (0.39) GAANPC1ALDH1A1HPGDRAB9A
SCHEMBL454479 0.92 MEN1 (0.41) GAAMEN1KMT2APDGFRB
Hydrochloric Acid SCHEMBL2831200 0.91 MEN1 (0.41) GAAMEN1KMT2APDGFRB
SCHEMBL4718028 0.91 EGLN2 (0.42) MEN1KMT2A
SCHEMBL456149 0.86 CASP3 (0.43) GAANPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL2832883 0.85 CASP3 (0.42) GAAMEN1KMT2A
SCHEMBL454265 0.84 ALDH1A1 (0.52) GAANPC1ALDH1A1HPGDRAB9A
Hydrochloric Acid SCHEMBL2831483 0.83 ALDH1A1 (0.51) GAANPC1ALDH1A1HPGDRAB9A
SCHEMBL458129 0.83 KMT2A (0.45) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2829605 0.83 MEN1 (0.44) MEN1KMT2AKDM4E

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 31 patents — showing the first 20. 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 claimed
US-9694006-B2 Use of pyrroloquinoline compounds to kill clinically latent microorganisms HELPERBY THERAPEUTICS LIMITED (GB) 2017-07-04 US claimed
US-20130096151-A1 NOVEL COMBINATION AND USE HELPERBY THERAPEUTICS LIMITED (GB) 2013-04-18 US claimed
EP-2552440-A1 NOVEL COMBINATION AND USE Helperby Therapeutics Limited (GB) 2013-02-06 EP claimed
US-20120231995-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2012-09-13 US claimed
WO-2011121345-A1 NOVEL COMBINATION AND USE HELPERBY THERAPEUTICS LIMITED (GB) 2011-10-06 WO claimed
US-20100093691-A1 TOPICAL FORMULATIONS HELPERBY THERAPEUTICS LIMITED (GB) 2010-04-15 US claimed
EP-2086542-A1 TOPICAL FORMULATIONS Helperby Therapeutics Limited (GB) 2009-08-12 EP claimed
US-20090137622-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2009-05-28 US claimed
WO-2008056151-A1 TOPICAL FORMULATIONS HELPERBY THERAPEUTICS LIMITED (GB) 2008-05-15 WO claimed
EP-3228314-B1 SULOCTIDIL FOR USE TO TREAT MICROBIAL INFECTIONS HELPERBY THERAPEUTICS LTD (GB) 2020-11-04 EP disclosed
US-10265373-B2 Pharmaceutical composition and method of treating a microbial infection with sulcotidil HELPERBY THERAPEUTICS LIMITED (GB) 2019-04-23 US disclosed
WO-2018162928-A1 METHOD FOR RESTORING EFFICACY OF AN ANTIBACTERIAL AGENT HELPERBY THERAPEUTICS LIMITED (GB) 2018-09-13 WO disclosed
US-9789101-B2 Methods and compositions for treating microbial infection using pyrroloquinone HELPERBY THERAPEUTICS LIMITED (GB) 2017-10-17 US disclosed
EP-3228314-A1 VASODILATOR FOR USE TO TREAT MICROBIAL INFECTIONS Helperby Therapeutics Limited (GB) 2017-10-11 EP disclosed
WO-2011121345-A1 NOVEL COMBINATION AND USE HELPERBY THERAPEUTICS LIMITED (GB) 2011-10-06 WO disclosed
US-20100093691-A1 TOPICAL FORMULATIONS HELPERBY THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
EP-2086542-A1 TOPICAL FORMULATIONS Helperby Therapeutics Limited (GB) 2009-08-12 EP disclosed
US-20090137622-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2009-05-28 US disclosed
WO-2008056151-A1 TOPICAL FORMULATIONS HELPERBY THERAPEUTICS LIMITED (GB) 2008-05-15 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 (5 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 GAA 373/4885NPC1 1482/4885ALDH1A1 865/4885
US-20130096151-A1 NOVEL COMBINATION AND USE FPR2, LTA, FPR1 GAA 1415/4885NPC1 4098/4885ALDH1A1 729/4885
US-20090137622-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL GAA 373/4885NPC1 1482/4885ALDH1A1 865/4885
US-20120231995-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL GAA 373/4885NPC1 1482/4885ALDH1A1 865/4885
US-20100093691-A1 TOPICAL FORMULATIONS DPM1, SUCLG1, LSS GAA 1301/4885NPC1 120/4885ALDH1A1 461/4885

“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.