SCHEMBL402026

SCHEMBL402026

O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccnc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.71
ALDH1A1 P00352 7/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
RAB9A P51151 3/20 0.61
POLB P06746 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CACNA1B Q00975 1/20 0.58
APBA1 Q02410 1/20 0.58
HPGD P15428 1/20 0.58
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 1/20 0.55
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55

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
SCHEMBL27821106 0.85 MAPT (0.71) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL402139 0.84 MAPT (0.77) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL7123399 0.84 SMN1; SMN2 (0.71) MAPTALDH1A1MEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL6026802 0.83 MAPT (0.74) MAPTALDH1A1MEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL6026805 0.83 MAPT (0.74) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL25306797 0.82 MAPK1 (0.68) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL10981544 0.82 MAPT (0.69) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL7129863 0.81 SMN1; SMN2 (0.67) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL399870 0.81 MEN1 (0.68) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL7279965 0.81 MAPT (0.71) MAPTALDH1A1MEN1KMT2ARAB9A

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 17 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
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 MAPT 4590/4885ALDH1A1 2719/4885MEN1 2551/4885
US-20150299190-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY SMO, SHH, SOS1 MAPT 4590/4885ALDH1A1 2719/4885MEN1 2551/4885
US-20170135992-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY SMO, SHH, SOS1 MAPT 4590/4885ALDH1A1 2719/4885MEN1 2551/4885
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling SHH, GLI1, SMO MAPT 2726/4885ALDH1A1 2103/4885MEN1 272/4885

“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.