SCHEMBL625342

SCHEMBL625342

NC(=O)NCc1c(Cl)cccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.55
CYP2C19 P33261 4/20 0.55
CYP3A4 P08684 3/20 0.50
LMNA P02545 3/20 0.50
ADRA2A P08913 2/20 0.50
CYP2D6 P10635 2/20 0.50
KMT2A Q03164 2/20 0.50
AKR1B1 P15121 1/20 0.50
MEN1 O00255 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
MAOA P21397 1/20 0.50
ADRA1D P25100 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
DRD3 P35462 1/20 0.50
OPRK1 P41145 1/20 0.50

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
SCHEMBL8380160 0.81 NPC1 (0.53) CYP2C9CYP2C19CYP3A4SMN1; SMN2NPC1
SCHEMBL625881 0.80 NPC1 (0.72) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL18688052 0.79 CYP1A2 (0.71) CYP2C9CYP2C19CYP3A4LMNACYP2D6
SCHEMBL5798047 0.79 AKR1B1 (0.50) CYP2C9CYP2C19CYP3A4LMNAADRA2A
SCHEMBL16709621 0.78 P2RX7 (0.53) LMNANPC1RAB9AP2RX7
SCHEMBL127089 0.78 POLB (0.46) CYP2C9CYP2C19KMT2AMEN1ALDH1A1
SCHEMBL2852938 0.77 TAAR1 (0.56) CYP2C9CYP2C19CYP3A4LMNAADRA2A
SCHEMBL28822084 0.76 LMNA (0.53) CYP2C9CYP2C19CYP3A4LMNACYP2D6
SCHEMBL19716834 0.76 AKR1B1 (0.47) CYP2C9CYP2C19CYP3A4LMNACYP2D6
SCHEMBL5648574 0.75 LMNA (0.75) LMNAKMT2AMEN1MAPTSMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729031-B2 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2014-05-20 US claimed
EP-2393829-A1 ACTAGARDINE DERIVATIVES Novacta Biosystems Limited (GB) 2011-12-14 EP claimed
US-20110294723-A1 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2011-12-01 US claimed
WO-2010089544-A1 ACTAGARDINE DERIVATIVES NOVACTA BIOSYSTEMS LIMITED (GB) 2010-08-12 WO claimed
US-9192569-B2 Formulations for infusion of type B lantibiotics NOVACTA BIOSYSTEMS LIMITED (GB) 2015-11-24 US disclosed
US-8729031-B2 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2014-05-20 US disclosed
EP-2603204-A2 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS Novacta Biosystems Limited (GB) 2013-06-19 EP disclosed
US-20130137630-A1 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS NOVACTA BIOSYSTEMS LIMITED (GB) 2013-05-30 US disclosed
WO-2012020219-A2 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO disclosed
EP-2393829-A1 ACTAGARDINE DERIVATIVES Novacta Biosystems Limited (GB) 2011-12-14 EP disclosed
US-20110294723-A1 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2011-12-01 US disclosed
WO-2010089544-A1 ACTAGARDINE DERIVATIVES NOVACTA BIOSYSTEMS LIMITED (GB) 2010-08-12 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 (2 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-20130137630-A1 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS SLC5A2, SLC5A11, SPTSSB CYP2C9 4511/4885CYP2C19 4178/4885CYP3A4 4601/4885
US-20110294723-A1 Compounds SLC11A2, SDHA, SDHB CYP2C9 102/4885CYP2C19 66/4885CYP3A4 374/4885

“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.