SCHEMBL2833930

SCHEMBL2833930

Cc1nc2ccccc2c(Cl)c1CCCl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
GPR3 P46089 1/20 0.48
PKM P14618 1/20 0.47
ALDH1A1 P00352 7/20 0.47
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 3/20 0.44
GAA P10253 1/20 0.44
NUDT1 P36639 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PLA2G2A P14555 1/20 0.41
KMT2A Q03164 2/20 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
Hydrochloric Acid SCHEMBL9686560 0.98 MAOA (0.50) MAOAMAOBGPR3PKMALDH1A1
SCHEMBL6785837 0.84 MAOA (0.53) MAOAMAOBGPR3PKMALDH1A1
SCHEMBL7128183 0.84 CYP1A2 (0.62) MAOAMAOBGPR3PKMALDH1A1
SCHEMBL2829549 0.83 PKM (0.55) PKMALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10517179 0.83 MAOA (0.52) MAOAMAOBGPR3PKMALDH1A1
SCHEMBL2837681 0.78 PKM (0.47) PKMALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5826631 0.78 PKM (0.43) PKMALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2829534 0.78 RXFP1 (0.76) PKMALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10518195 0.77 MAOA (0.64) MAOAMAOBGPR3ALDH1A1CYP1A2
SCHEMBL3349470 0.77 KDM4E (0.70) MAOAMAOBGPR3ALDH1A1CYP1A2

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 16 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
CN-101594866-A The preparation of local usefulness HELPERBY THERAPEUTICS LTD (GB) 2009-12-02 CN 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
CN-101351203-A Application of pyrroloquinoline compound in killing clinically latent microorganisms HELPERBY THERAPEUTICS LTD (GB) 2009-01-21 CN disclosed
EP-1945211-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS Helperby Therapeutics Limited (GB) 2008-07-23 EP disclosed
WO-2008056151-A1 TOPICAL FORMULATIONS HELPERBY THERAPEUTICS LIMITED (GB) 2008-05-15 WO 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 MAOA 677/4885MAOB 622/4885GPR3 3816/4885
US-20090137622-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL MAOA 677/4885MAOB 622/4885GPR3 3816/4885
US-20120231995-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL MAOA 677/4885MAOB 622/4885GPR3 3816/4885
US-20100093691-A1 TOPICAL FORMULATIONS DPM1, SUCLG1, LSS MAOA 316/4885MAOB 272/4885GPR3 2561/4885

“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.