SCHEMBL2829534

SCHEMBL2829534

Cc1nc2ccc(Br)cc2c(Cl)c1CCCl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.76
CYP1A2 P05177 2/20 0.76
CYP2C9 P11712 2/20 0.76
CYP2C19 P33261 2/20 0.76
CYP2D6 P10635 1/20 0.76
PKM P14618 1/20 0.52
ALDH1A1 P00352 6/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 4/20 0.44
CASP3 P42574 3/20 0.44
LMNA P02545 2/20 0.44
NOD2 Q9HC29 1/20 0.44
MPO P05164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
NT5E P21589 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
SCHEMBL2829549 0.84 PKM (0.55) RXFP1CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL2833925 0.82 PKM (0.56) RXFP1CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL18449613 0.80 RXFP1 (0.69) RXFP1CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL2833179 0.79 PKM (0.50) RXFP1CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL2830406 0.78 PKM (0.49) RXFP1CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL21004558 0.78 RXFP1 (0.65) RXFP1CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL2833930 0.78 MAOA (0.52) RXFP1CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL2832584 0.77 ALDH1A1 (0.50) RXFP1CYP1A2CYP2C9CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL9686560 0.76 MAOA (0.50) RXFP1CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL16651261 0.76 RXFP1 (0.59) RXFP1CYP1A2CYP2C9CYP2C19CYP2D6

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 11 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
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 (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 RXFP1 886/4885CYP1A2 378/4885CYP2C9 1642/4885
US-20090137622-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL RXFP1 886/4885CYP1A2 378/4885CYP2C9 1642/4885
US-20120231995-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL RXFP1 886/4885CYP1A2 378/4885CYP2C9 1642/4885
US-20100093691-A1 TOPICAL FORMULATIONS DPM1, SUCLG1, LSS RXFP1 988/4885CYP1A2 73/4885CYP2C9 692/4885

“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.