SCHEMBL457291

SCHEMBL457291

Cn1c(Nc2cc(N3CCOCC3)nc3ccc(Oc4ccccc4)cc23)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 4/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
PIK3CA P42336 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
HTT P42858 2/20 0.41
ATM Q13315 1/20 0.41

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 SCHEMBL4785127 0.99 SMN1; SMN2 (0.46) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL454957 0.82 PTPN11 (0.50) SMN1; SMN2NPC1RAB9AGAATSHR
SCHEMBL4748264 0.78 ERBB2 (0.53) SMN1; SMN2NPC1RAB9AGAAHTT
Hydrochloric Acid SCHEMBL4748017 0.77 ERBB2 (0.52) SMN1; SMN2NPC1RAB9AGAAHTT
SCHEMBL455066 0.76 PTPN11 (0.49) SMN1; SMN2NPC1RAB9ATSHRKMT2A
SCHEMBL4745348 0.75 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL454499 0.72 PTPN11 (0.49) SMN1; SMN2NPC1RAB9AGAATSHR
Formic Acid SCHEMBL4786385 0.72 PTPN11 (0.44) SMN1; SMN2NPC1RAB9AKMT2APOLB
SCHEMBL27657819 0.69 HTR3A (0.73) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL457343 0.68 TP53 (0.52) SMN1; SMN2NPC1RAB9AKMT2APOLB

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 18 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
WO-2008117079-A1 ANTIMICROBIAL COMPOUNDS BASED UPON 4-AMINOQUINOLINE HELPERBY THERAPEUTICS LIMITED (GB) 2008-10-02 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 ALDH1A1 729/4885KDM4E 3298/4885SMN1; SMN2 4040/4885

“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.