SCHEMBL1413913

SCHEMBL1413913

O=C(O)c1cc(-c2ccc(Cl)cc2)[nH]n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
NR1I2 O75469 1/20 0.55
AHR P35869 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
CA12 O43570 1/20 0.53
ALPL P05186 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.50
NPY5R Q15761 2/20 0.50
KMO O15229 1/20 0.49
PKM P14618 1/20 0.47
MCL1 Q07820 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LTA4H P09960 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
SCHEMBL117667 0.87 MARS1 (0.60) NPC1RAB9ANR1I2AHRSMN1; SMN2
SCHEMBL70360 0.86 CA12 (0.53) CA12ALPLMAPTMEN1KMT2A
SCHEMBL8860019 0.85 MKNK1 (0.57) NPC1RAB9ANR1I2AHRSMN1; SMN2
SCHEMBL29019950 0.84 MEN1 (0.51) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL16103962 0.84 NR4A2 (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL69492 0.84 MEN1 (0.58) NPC1RAB9ASMN1; SMN2ALPLMAPT
SCHEMBL3682308 0.83 KMO (0.55) MAPTMEN1KMT2APOLBKMO
SCHEMBL19996893 0.83 MEN1 (0.50) CA12ALPLMAPTMEN1KMT2A
SCHEMBL1413865 0.83 ALPL (0.53) SMN1; SMN2MKNK1MKNK2ALPLMAPT
SCHEMBL1413926 0.83 MEN1 (0.54) MAPTMEN1KMT2APOLBMCL1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6869953-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2005-03-22 US claimed
US-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HAAG RAINER (DE) 2004-09-30 US claimed
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2003-07-24 US claimed
US-8470816-B2 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
US-7947717-B2 Inhibitors of lethal factor protease BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-05-24 US disclosed
US-7947717-B2 Inhibitors of lethal factor protease BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-05-24 US disclosed
EP-2291372-A2 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF Burnham Institute for Medical Research (US) 2011-03-09 EP disclosed
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-01-21 US disclosed
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-01-21 US disclosed
US-20100016292-A1 INHIBITORS OF LETHAL FACTOR PROTEASE THE BURNHAM INSTITUTE (US) 2010-01-21 US disclosed
US-20100016292-A1 INHIBITORS OF LETHAL FACTOR PROTEASE THE BURNHAM INSTITUTE (US) 2010-01-21 US disclosed
CN-1268614-C Substituted pyrazolyl benzenesulfonamides for treating inflammation SEARLE & CO (US) 2006-08-09 CN disclosed
CN-1699347-A Substituted pyrazolyl benzenesulfonamides for the treatment of inflamation SEARLE & CO (US) 2005-11-23 CN disclosed
CN-1495170-A Substituted pyrazolyl benzenesulfonamides for treating inflammation G.D.ɪ����˾ 2004-05-12 CN disclosed
CN-1134418-C Substituted pyrazolyl benzenesulfonamides for treating inflammation - 2004-01-14 CN disclosed
CN-1127484-C Substituted pyrazolyl benzene sulfone amides compounds for curing inflammation SEARLE & CO (US) 2003-11-12 CN disclosed
CN-1280126-A Substituted pyrazolyl benzenesulfonamides for treating inflammation SEARLE & CO (US) 2001-01-17 CN disclosed
CN-1280125-A Substituted pyrazolyl benzene sulfone amides compounds for curing inflammation SEARLE & CO (US) 2001-01-17 CN disclosed
CN-1202828-A Substituted pyrzolyl benzenesulfonanides for use in veterinary SEARLE & CO (US) 1998-12-23 CN disclosed
CN-1141630-A Substituted pyrazolyl benzenesulfonamides for treating inflammation SEARLE & CO (US) 1997-01-29 CN 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 (4 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-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 NPC1 71/4885RAB9A 2425/4885NR1I2 277/4885
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF ALPI, SI, FABP2 NPC1 1539/4885RAB9A 1635/4885NR1I2 3918/4885
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 NPC1 71/4885RAB9A 2425/4885NR1I2 277/4885
US-20100016292-A1 INHIBITORS OF LETHAL FACTOR PROTEASE APAF1, F11, SERPINB1 NPC1 2786/4885RAB9A 1485/4885NR1I2 4678/4885

“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.