SCHEMBL457327

SCHEMBL457327

Cc1cc(Nc2nc3ccccc3n2C)c2cc(Nc3ccccc3)ccc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 2/20 0.47
GUSB P08236 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 2/20 0.47
RAD52 P43351 1/20 0.47
TERT O14746 1/20 0.47
KMT2A Q03164 2/20 0.46
KDR P35968 1/20 0.46
PLK1 P53350 1/20 0.46

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
SCHEMBL455475 0.84 GAA (0.50) GAAL3MBTL1NPC1RAB9ALMNA
SCHEMBL457180 0.84 GAA (0.57) GAAL3MBTL1NPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL4747848 0.83 GAA (0.56) GAAL3MBTL1NPC1RAB9ALMNA
SCHEMBL456542 0.81 LMNA (0.46) GAAL3MBTL1NPC1RAB9AADRA2A
SCHEMBL454957 0.81 PTPN11 (0.50) GAANPC1RAB9ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL4747208 0.80 LMNA (0.45) GAAL3MBTL1NPC1RAB9AADRA2A
SCHEMBL2543132 0.78 ADRA2A (0.64) ADRA2AADRA2BADRA2CRAD52TDP1
SCHEMBL455066 0.78 PTPN11 (0.49) NPC1RAB9ALMNASMN1; SMN2TP53
SCHEMBL457343 0.78 TP53 (0.52) NPC1RAB9ALMNASMN1; SMN2TP53
SCHEMBL454499 0.78 PTPN11 (0.49) GAANPC1RAB9ALMNASMN1; SMN2

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 GAA 1415/4885L3MBTL1 86/4885NPC1 4098/4885

“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.