SCHEMBL403854

SCHEMBL403854

Nc1ccc(Cl)c(NC(=O)c2cccnc2)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
ALDH1A1 P00352 2/20 0.62
KDM4E B2RXH2 1/20 0.62
HDAC1 Q13547 5/20 0.62
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
HDAC3 O15379 2/20 0.60
HDAC2 Q92769 2/20 0.60
LMNA P02545 1/20 0.60
KCNMA1 Q12791 1/20 0.59
TDP1 Q9NUW8 1/20 0.57
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD17B10 Q99714 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
MAPK1 P28482 2/20 0.54

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
SCHEMBL14094077 0.85 KCNMA1 (0.71) ALDH1A1HDAC1HDAC3HDAC2LMNA
SCHEMBL1520735 0.84 HDAC1 (0.62) ALDH1A1KDM4EHDAC1NPC1RAB9A
SCHEMBL13428037 0.83 HDAC1 (0.72) HDAC1HDAC3HDAC2LMNATDP1
SCHEMBL403486 0.83 HDAC1 (0.66) KDM4EHDAC1NPC1RAB9AHDAC3
SCHEMBL31171396 0.81 HDAC3 (0.68) TSHRALDH1A1KDM4EHDAC1NPC1
SCHEMBL4965181 0.80 TSHR (0.71) TSHRALDH1A1KDM4ENPC1RAB9A
SCHEMBL402026 0.80 MAPT (0.71) TSHRALDH1A1KDM4ENPC1RAB9A
SCHEMBL27675228 0.80 MCL1 (0.66) TSHRALDH1A1HDAC1NPC1RAB9A
SCHEMBL17801307 0.80 KCNMA1 (0.64) TSHRALDH1A1KDM4EHDAC1NPC1
SCHEMBL403235 0.79 MEN1 (0.68) HDAC1KCNMA1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10183013-B2 Cyclic sulfonamide containing derivatives as inhibitors of hedgehog signaling pathway NANT HOLDINGS IP, LLC (US) 2019-01-22 US disclosed
US-10183013-B2 Cyclic sulfonamide containing derivatives as inhibitors of hedgehog signaling pathway NANT HOLDINGS IP, LLC (US) 2019-01-22 US disclosed
CN-105101959-B Cyclic sulfonamide-containing derivatives as hedgehog signaling pathway inhibitors 南特知识产权控股有限责任公司 2018-04-17 CN disclosed
EP-2914253-B1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY NANTBIOSCIENCE INC (US) 2018-01-03 EP disclosed
US-20170135992-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY NANT HOLDINGS IP, LLC 2017-05-18 US disclosed
US-20170135992-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY NANT HOLDINGS IP, LLC 2017-05-18 US disclosed
US-9499539-B2 Cyclic sulfonamide containing derivatives as inhibitors of hedgehog signaling pathway NANTBIOSCIENCE, INC. (US) 2016-11-22 US disclosed
US-9499539-B2 Cyclic sulfonamide containing derivatives as inhibitors of hedgehog signaling pathway NANTBIOSCIENCE, INC. (US) 2016-11-22 US disclosed
EP-1957461-B1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH INC (US) 2016-11-02 EP disclosed
US-20150299190-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY NANT HOLDINGS IP, LLC 2015-10-22 US disclosed
US-20150299190-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY NANT HOLDINGS IP, LLC 2015-10-22 US disclosed
EP-2914253-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY Nant Holdings IP, LLC (US) 2015-09-09 EP disclosed
WO-2014071298-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY NANT HOLDINGS IP, LLC (US) 2014-05-08 WO disclosed
WO-2014071298-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY NANT HOLDINGS IP, LLC (US) 2014-05-08 WO disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 US disclosed
EP-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 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 (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-10183013-B2 Cyclic sulfonamide containing derivatives as inhibitors of hedgehog signaling pathway SMO, SHH, SOS1 TSHR 2873/4885ALDH1A1 2719/4885KDM4E 2841/4885
US-20150299190-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY SMO, SHH, SOS1 TSHR 2873/4885ALDH1A1 2719/4885KDM4E 2841/4885
US-20170135992-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY SMO, SHH, SOS1 TSHR 2873/4885ALDH1A1 2719/4885KDM4E 2841/4885
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling SHH, GLI1, SMO TSHR 926/4885ALDH1A1 2103/4885KDM4E 710/4885

“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.