SCHEMBL1127118

SCHEMBL1127118

C=CCN(C(=O)O)c1cccc(C(=O)Cc2ccnc(Cl)n2)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.33
PTPN1 P18031 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
SHMT1 P34896 1/20 0.31
SHMT2 P34897 1/20 0.31
BCL2A1 Q16548 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
S1PR1 P21453 1/20 0.31

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
SCHEMBL1127068 0.81 RAB9A (0.34) RAB9ANPC1MEN1KMT2ASHMT1
SCHEMBL1127526 0.81 PDK1 (0.33) BCL2A1
SCHEMBL2255493 0.81 KDM4E (0.44) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL1127174 0.79
SCHEMBL1127127 0.78 NPC1 (0.32) RAB9ANPC1MEN1KMT2ATSHR
SCHEMBL1127066 0.77 KDM4E (0.30) KDM4E
SCHEMBL24760920 0.76 ERCC5 (0.47) RAB9ANPC1MEN1KMT2ATSHR
SCHEMBL24760727 0.76 RAB9A (0.53) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL1127164 0.76 TSHR (0.34) MEN1KMT2ATSHRKDM4ELMNA
SCHEMBL23201122 0.75 TSHR (0.43) RAB9ANPC1MEN1KMT2ATSHR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3106462-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS Novartis AG (CH) 2016-12-21 EP disclosed
EP-2282636-B1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS NOVARTIS AG (CH) 2016-03-23 EP disclosed
US-20160068523-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2016-03-10 US disclosed
EP-2406234-A1 THIAZOLE SULFONAMIDE AND OXAZOLE SULFONAMIDE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2012-01-18 EP disclosed
US-20110319392-A1 Thiazole Sulfonamide And Oxazole Sulfonamide Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-12-29 US disclosed
US-7994185-B2 Benzene sulfonamide thiazole and oxazole compounds Glaxo Smith Kline LLC (US) 2011-08-09 US disclosed
US-20110172215-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds NOVARTIS AG (CH) 2011-07-14 US disclosed
WO-2011059610-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-19 WO disclosed
US-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
EP-2282636-A2 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GlaxoSmithKline LLC (US) 2011-02-16 EP 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-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors PDXK, MAP3K1, MAP4K2 RAB9A 4320/4885NPC1 3053/4885MEN1 2388/4885
US-20110172215-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds STS, TST, TPST2 RAB9A 4753/4885NPC1 2752/4885MEN1 3639/4885
US-20110319392-A1 Thiazole Sulfonamide And Oxazole Sulfonamide Kinase Inhibitors STK24, MAP3K5, MAP3K2 RAB9A 4411/4885NPC1 3842/4885MEN1 3582/4885
US-20160068523-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 RAB9A 4753/4885NPC1 2752/4885MEN1 3639/4885

“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.