SCHEMBL2833192

SCHEMBL2833192

Cc1nc2ccc(OC(F)(F)F)cc2c(Cl)c1CCCl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2D6 P10635 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
DHODH Q02127 2/20 0.41
PLA2G2A P14555 1/20 0.40
HDAC3 O15379 1/20 0.39
APP P05067 1/20 0.39
ACHE P22303 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39

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
SCHEMBL2833179 0.85 PKM (0.50) PKMALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2832584 0.83 ALDH1A1 (0.50) PKMALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2837681 0.82 PKM (0.47) PKMALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2829549 0.79 PKM (0.55) PKMALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2829534 0.76 RXFP1 (0.76) PKMALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2833925 0.76 PKM (0.56) PKMALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2834312 0.75 ALDH1A1 (0.66) PKMALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL29366018 0.74 DHODH (0.47) ALDH1A1L3MBTL1DHODHHDAC3APP
SCHEMBL2540735 0.73 CYP3A4 (0.53) PKMCYP1A2CYP2C9CYP2C19NPC1
SCHEMBL2830406 0.73 PKM (0.49) PKMALDH1A1CYP1A2CYP2C9CYP2C19

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 13 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

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 PKM 826/4885ALDH1A1 865/4885CYP1A2 378/4885
US-20090137622-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL PKM 826/4885ALDH1A1 865/4885CYP1A2 378/4885
US-20120231995-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL PKM 826/4885ALDH1A1 865/4885CYP1A2 378/4885
US-20100093691-A1 TOPICAL FORMULATIONS DPM1, SUCLG1, LSS PKM 1844/4885ALDH1A1 461/4885CYP1A2 73/4885

“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.