SCHEMBL454899

SCHEMBL454899

Cc1nc2ccc(OC(F)(F)F)cc2c2c1CCN2c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
LMNA P02545 2/20 0.49
RAD52 P43351 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 3/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
BCHE P06276 6/20 0.41
ACHE P22303 6/20 0.41
JAK2 O60674 1/20 0.39
TRPV4 Q9HBA0 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
Hydrochloric Acid SCHEMBL2830116 0.99 KDM4E (0.55) KDM4EKMT2AMEN1LMNARAD52
SCHEMBL454423 0.90 KMT2A (0.61) KDM4EKMT2AMEN1LMNARAD52
SCHEMBL456850 0.88 KMT2A (0.64) KDM4EKMT2AMEN1LMNARAD52
SCHEMBL454616 0.87 KMT2A (0.70) KDM4EKMT2AMEN1LMNARAD52
Hydrochloric Acid SCHEMBL2834360 0.87 KMT2A (0.63) KDM4EKMT2AMEN1LMNARAD52
Hydrochloric Acid SCHEMBL2830055 0.86 KMT2A (0.69) KDM4EKMT2AMEN1LMNARAD52
SCHEMBL460857 0.86 KMT2A (0.66) KDM4EKMT2AMEN1LMNARAD52
Trifluoroacetic Acid SCHEMBL2837152 0.85 KMT2A (0.60) KDM4EKMT2AMEN1LMNARAD52
Trifluoroacetic Acid SCHEMBL2836950 0.85 KMT2A (0.56) KDM4EKMT2AMEN1LMNARAD52
SCHEMBL457262 0.84 KMT2A (0.55) KDM4EKMT2AMEN1LMNARAD52

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 37 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
EP-1945211-B1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LTD (GB) 2015-10-21 EP 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
CN-101594866-A The preparation of local usefulness HELPERBY THERAPEUTICS LTD (GB) 2009-12-02 CN claimed
US-20090137622-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2009-05-28 US claimed
CN-101351203-A Application of pyrroloquinoline compound in killing clinically latent microorganisms HELPERBY THERAPEUTICS LTD (GB) 2009-01-21 CN claimed
EP-1945211-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS Helperby Therapeutics Limited (GB) 2008-07-23 EP claimed
WO-2007054693-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2007-05-18 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-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
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

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 KDM4E 1494/4885KMT2A 2403/4885MEN1 1394/4885
US-20130096151-A1 NOVEL COMBINATION AND USE FPR2, LTA, FPR1 KDM4E 3298/4885KMT2A 2810/4885MEN1 4865/4885
US-20090137622-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL KDM4E 1494/4885KMT2A 2403/4885MEN1 1394/4885
US-20120231995-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL KDM4E 1494/4885KMT2A 2403/4885MEN1 1394/4885
US-20100093691-A1 TOPICAL FORMULATIONS DPM1, SUCLG1, LSS KDM4E 2890/4885KMT2A 4302/4885MEN1 2763/4885

“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.