SCHEMBL2830264

SCHEMBL2830264

Cc1nc2c(C)cccc2c(Cl)c1CCCl

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
RAD52 P43351 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
PARP1 P09874 2/20 0.39
PARP2 Q9UGN5 2/20 0.39
ELANE P08246 2/20 0.38
HSP90AB1 P08238 1/20 0.38
TP53 P04637 1/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38

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
SCHEMBL7128192 0.85 KDM4E (0.68) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9685540 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL5826547 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9685516 0.82 KDM4E (0.77) ALDH1A1KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL9684702 0.81 KDM4E (0.75) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL2838064 0.78 KDM4E (0.55) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL2125784 0.78 KDM4E (0.49) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL2833930 0.77 MAOA (0.52) ALDH1A1KDM4EKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL9686560 0.75 MAOA (0.50) ALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL9864633 0.74 ALDH1A1 (0.35) ALDH1A1KDM4EMEN1KMT2ARAD52

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 12 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
EP-0307078-B1 QUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1992-08-26 EP disclosed
US-5051508-A Antisecretory agents and enzyme inhibitors as antiulcer agents SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1991-09-24 US disclosed
EP-0307078-A1 Quinoline derivatives, process for their preparation and pharmaceutical compositions containing them SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1989-03-15 EP 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 ALDH1A1 865/4885KDM4E 1494/4885MAPT 3472/4885
US-20090137622-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL ALDH1A1 865/4885KDM4E 1494/4885MAPT 3472/4885
US-20120231995-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL ALDH1A1 865/4885KDM4E 1494/4885MAPT 3472/4885
US-20100093691-A1 TOPICAL FORMULATIONS DPM1, SUCLG1, LSS ALDH1A1 461/4885KDM4E 2890/4885MAPT 1186/4885

“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.