SCHEMBL2177064

SCHEMBL2177064

CCOC(=O)c1nnc(-c2ccccc2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 2/20 0.47
USP2 O75604 1/20 0.47
HPGDS O60760 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45

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
SCHEMBL14392318 0.87 PKN1 (0.53) ALDH1A1HPGDHSD17B10CDC7DBF4
SCHEMBL23041481 0.84 ALOX5 (0.49) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL20162941 0.80 ALOX5 (0.46) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL30036379 0.80 ALOX5 (0.46) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL15956900 0.80 SMN1; SMN2 (0.52) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL24380269 0.80 L3MBTL1 (0.47) MAPTKDM4ESMN1; SMN2HPGDNPC1
SCHEMBL15964606 0.77 MMP2 (0.49) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL22272841 0.75 RAB9A (0.49) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL4081417 0.75 PIN1 (0.62) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL27475261 0.75 PIN1 (0.68) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-06-08 US disclosed
EP-4121029-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF Amathus Therapeutics, Inc. (US) 2023-01-25 EP disclosed
WO-2021188880-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
US-9550757-B2 Nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2017-01-24 US disclosed
US-9550757-B2 Nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2017-01-24 US disclosed
US-9303000-B2 Olefin containing nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2016-04-05 US disclosed
US-8748426-B2 Inhibitors of diacylglycerol acyl transferase Piramal Enterprises Limited (IN) 2014-06-10 US disclosed
US-20140155370-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF Karyopharm Therapeutics Inc. 2014-06-05 US disclosed
US-8513230-B2 Nuclear transport modulators and uses thereof KARYOPHARM THERAPEUTICS, INC. (US) 2013-08-20 US disclosed
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Enterprises Limited (IN) 2012-11-15 US disclosed
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP disclosed
US-20120258986-A1 OLEFIN CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2012-10-11 US disclosed
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-11-10 US disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 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 (5 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-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, TP53BP1 MAPT 89/4885KDM4E 4448/4885SMN1; SMN2 405/4885
US-20140155370-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, NXF1, XPOT MAPT 2798/4885KDM4E 1988/4885SMN1; SMN2 2532/4885
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, NXF1, XPOT MAPT 2798/4885KDM4E 1988/4885SMN1; SMN2 2532/4885
US-20120258986-A1 OLEFIN CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF NXF1, NCOA1, XPO1 MAPT 2553/4885KDM4E 2866/4885SMN1; SMN2 2203/4885
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE DGAT1, DGAT2, LCAT MAPT 116/4885KDM4E 3647/4885SMN1; SMN2 2783/4885

“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.