SCHEMBL2833129

SCHEMBL2833129

Cc1nc2ccccc2c2c1CCN2c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.66
GAA P10253 4/20 0.66
GLA P06280 2/20 0.66
HTT P42858 1/20 0.66
ALDH1A1 P00352 5/20 0.58
LMNA P02545 3/20 0.58
HPGD P15428 3/20 0.58
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
RAD52 P43351 2/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 2/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2830052 0.93 KDM4E (0.65) KDM4EGAAGLAHTTALDH1A1
SCHEMBL2834821 0.88 KDM4E (0.71) KDM4EGAAGLAHTTALDH1A1
SCHEMBL454287 0.88 KDM4E (0.58) KDM4EGAAGLAHTTALDH1A1
Hydrochloric Acid SCHEMBL2831643 0.87 KDM4E (0.57) KDM4EGAAGLAHTTALDH1A1
SCHEMBL2833278 0.86 KDM4E (0.54) KDM4EGAAGLAHTTALDH1A1
SCHEMBL9685720 0.85 KDM4E (0.56) KDM4EGAAGLAHTTALDH1A1
SCHEMBL9684726 0.84 KDM4E (0.62) KDM4EALDH1A1
SCHEMBL2832236 0.82 KDM4E (0.70) KDM4EGAAGLAHTTALDH1A1
SCHEMBL456582 0.82 KMT2A (0.76) KDM4EGAAGLAHTTALDH1A1
SCHEMBL2834443 0.81 GPR3 (0.46) 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 7 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

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.