SCHEMBL2833853

SCHEMBL2833853

COc1cccc2c3c(c(C)nc12)CCN3c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
GAA P10253 3/20 1.00
GLA P06280 1/20 1.00
HTT P42858 1/20 1.00
ALDH1A1 P00352 2/20 0.82
LMNA P02545 2/20 0.82
RAD52 P43351 2/20 0.82
NPC1 O15118 1/20 0.82
KMT2A Q03164 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 1/20 0.61
MEN1 O00255 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C19 P33261 2/20 0.57
JAK2 O60674 1/20 0.51

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
SCHEMBL457100 0.91 KDM4E (0.83) KDM4EGAAGLAHTTALDH1A1
SCHEMBL455478 0.88 KDM4E (0.78) KDM4EGAAGLAHTTALDH1A1
SCHEMBL9685620 0.88 KDM4E (1.00) KDM4EGAAGLAHTTALDH1A1
SCHEMBL2573856 0.87 KDM4E (0.78) KDM4EGAAGLAHTTALDH1A1
Hydrochloric Acid SCHEMBL2834512 0.87 KDM4E (0.77) KDM4EGAAGLAHTTALDH1A1
SCHEMBL9685162 0.85 KDM4E (0.86) KDM4EGAAGLAHTTALDH1A1
SCHEMBL2833037 0.83 KDM4E (0.72) KDM4EGAAGLAHTTALDH1A1
SCHEMBL2832236 0.82 KDM4E (0.70) KDM4EGAAGLAHTTALDH1A1
SCHEMBL2833129 0.80 KDM4E (0.66) KDM4EGAAGLAHTTALDH1A1
SCHEMBL9684732 0.79 KDM4E (0.72) KDM4EGAAGLAHTTALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137622-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2009-05-28 US claimed
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
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

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 KDM4E 1494/4885GAA 373/4885GLA 53/4885
US-20090137622-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL KDM4E 1494/4885GAA 373/4885GLA 53/4885
US-20120231995-A1 USE OF PYRROLOQUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS LPO, ARG1, CTSL KDM4E 1494/4885GAA 373/4885GLA 53/4885
US-20100093691-A1 TOPICAL FORMULATIONS DPM1, SUCLG1, LSS KDM4E 2890/4885GAA 1301/4885GLA 35/4885

“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.