SCHEMBL626329

SCHEMBL626329

NC(=O)NCc1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
NPC1 O15118 2/20 0.55
RAB9A P51151 1/20 0.55
MEN1 O00255 1/20 0.52
HCRTR1 O43613 1/20 0.52
KMT2A Q03164 1/20 0.52
F7 P08709 1/20 0.52
CD38 P28907 1/20 0.52
HTR3E A5X5Y0 2/20 0.51
HTR3B O95264 2/20 0.51
HTR3A P46098 2/20 0.51
HTR3D Q70Z44 2/20 0.51
HTR3C Q8WXA8 2/20 0.51
RECQL P46063 1/20 0.51
HDAC1 Q13547 1/20 0.51

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
SCHEMBL17231394 0.89 F7 (0.62) CYP2C9CYP2C19NPC1RAB9AKMT2A
SCHEMBL8513394 0.87 RECQL (0.59) CYP2C9CYP2C19MEN1KMT2ARECQL
SCHEMBL25780410 0.86 GABRP (0.54) NPC1RAB9AF7
SCHEMBL4588413 0.86 PLA2G1B (0.56) NPC1RAB9AHDAC1
SCHEMBL3552958 0.84 RXFP1 (0.59) CYP2C9CYP2C19NPC1RAB9AMEN1
SCHEMBL31043535 0.83 HDAC1 (0.49) NPC1RAB9AHTR3EHTR3BHTR3A
SCHEMBL29937482 0.82 NPC1 (0.55) NPC1RAB9AMEN1HCRTR1KMT2A
SCHEMBL884912 0.82 NPC1 (0.55) NPC1RAB9AMEN1HCRTR1KMT2A
SCHEMBL13134026 0.82 HTR3E (0.61) NPC1RAB9AF7HTR3EHTR3B
SCHEMBL16108166 0.82 MAPT (0.55) NPC1RAB9AHTR3EHTR3BHTR3A

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 45 patents — showing the first 20. 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
EP-1904438-B1 DICYCLOALKYLCARBAMOYL UREAS AS GLUCOKINASE ACTIVATORS NOVO NORDISK AS (DK) 2012-02-29 EP 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
EP-1254899-A2 Piperazine derivatives and their use as anti-inflammatory agents Schering Aktiengesellschaft (DE) 2002-11-06 EP disclosed
US-6440979-B1 Aryl isoguanines EURO-CELTIQUE, S.A. (LU) 2002-08-27 US disclosed
US-6207665-B1 TO TREAT INFLAMMATORY DISORDERS IN HUMANS SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-27 US disclosed
US-6090816-A ANTIASTHMA AGENTS EURO-CELTIQUE S.A. (LU) 2000-07-18 US disclosed
US-6066641-A PHOSPHODIESTERASES AS MOLECULAR TARGETS FOR ANTI-ASTHMATIC AGENTS EURO-CELTIQUE S.A. (LU) 2000-05-23 US disclosed
EP-0814809-A4 ARYL THIOXANTHINES EURO CELTIQUE SA (LU) 1998-04-01 EP disclosed
EP-0814809-A1 ARYL THIOXANTHINES Euroceltique S.A. (LU) 1998-01-07 EP disclosed
WO-1996018399-A1 ARYL THIOXANTHINES EURO-CELTIQUE, S.A. (LU) 1996-06-20 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 4178/4885NPC1 370/4885
US-20110294723-A1 Compounds SLC11A2, SDHA, SDHB CYP2C9 102/4885CYP2C19 66/4885NPC1 490/4885

“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.