SCHEMBL454499

SCHEMBL454499

Cc1cc(Nc2nc3ccccc3n2C)c2cc(Oc3ncccn3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.49
RAD52 P43351 2/20 0.47
POLB P06746 1/20 0.47
TP53 P04637 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PDE10A Q9Y233 2/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 2/20 0.44
SLC2A1 P11166 1/20 0.44
GAA P10253 1/20 0.44
NQO2 P16083 1/20 0.44
DNMT1 P26358 1/20 0.43
RAF1 P04049 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL454957 0.89 PTPN11 (0.50) PTPN11RAD52POLBTP53SMN1; SMN2
SCHEMBL455066 0.85 PTPN11 (0.49) PTPN11RAD52POLBTP53SMN1; SMN2
SCHEMBL457343 0.83 TP53 (0.52) PTPN11RAD52POLBTP53SMN1; SMN2
SCHEMBL4748264 0.81 ERBB2 (0.53) TP53SMN1; SMN2PDE10ALMNANPC1
Formic Acid SCHEMBL4786385 0.80 PTPN11 (0.44) PTPN11RAD52POLBTP53SMN1; SMN2
Hydrochloric Acid SCHEMBL4748017 0.80 ERBB2 (0.52) TP53SMN1; SMN2PDE10ALMNANPC1
SCHEMBL455475 0.78 GAA (0.50) TP53SMN1; SMN2LMNANPC1RAB9A
SCHEMBL457180 0.78 GAA (0.57) POLBTP53SMN1; SMN2PDE10ALMNA
SCHEMBL457327 0.78 GAA (0.53) RAD52POLBTP53SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4747848 0.78 GAA (0.56) POLBTP53SMN1; SMN2PDE10ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2011121345-A1 NOVEL COMBINATION AND USE HELPERBY THERAPEUTICS LIMITED (GB) 2011-10-06 WO claimed
WO-2008117079-A1 ANTIMICROBIAL COMPOUNDS BASED UPON 4-AMINOQUINOLINE HELPERBY THERAPEUTICS LIMITED (GB) 2008-10-02 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-9789101-B2 Methods and compositions for treating microbial infection using pyrroloquinone HELPERBY THERAPEUTICS LIMITED (GB) 2017-10-17 US disclosed
EP-3228314-A1 VASODILATOR FOR USE TO TREAT MICROBIAL INFECTIONS Helperby Therapeutics Limited (GB) 2017-10-11 EP disclosed
US-9549965-B2 Pharmaceutical composition for treating a microbial infection HELPERBY THERAPEUTICS LIMITED (GB) 2017-01-24 US disclosed
US-20160082073-A1 NOVEL USE HELPERBY THERAPEUTICS LIMITED (GB) 2016-03-24 US disclosed
US-20130243886-A1 NOVEL USE HELPERBY THERAPEUTICS LIMITED (GB) 2013-09-19 US disclosed
EP-2613774-A2 NOVEL USE Helperby Therapeutics Limited (GB) 2013-07-17 EP disclosed
US-20130096151-A1 NOVEL COMBINATION AND USE HELPERBY THERAPEUTICS LIMITED (GB) 2013-04-18 US disclosed
EP-2552440-A1 NOVEL COMBINATION AND USE Helperby Therapeutics Limited (GB) 2013-02-06 EP disclosed
WO-2012032360-A2 NOVEL USE HELPERBY THERAPEUTICS LIMITED (GB) 2012-03-15 WO disclosed
WO-2011121345-A1 NOVEL COMBINATION AND USE HELPERBY THERAPEUTICS LIMITED (GB) 2011-10-06 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 (1 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-20130096151-A1 NOVEL COMBINATION AND USE FPR2, LTA, FPR1 PTPN11 4007/4885RAD52 1491/4885POLB 929/4885

“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.