SCHEMBL14001968

SCHEMBL14001968

c1ccc(-c2nccc3ccsc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.46
KDM4E B2RXH2 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
MAPT P10636 5/20 0.39
KMT2A Q03164 3/20 0.39
GLA P06280 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
ATR Q13535 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
HTR2B P41595 1/20 0.37
HTR5A P47898 1/20 0.37
TDO2 P48775 1/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36

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
SCHEMBL8016628 0.82 PDE3B (0.39) KDM4ENPC1RAB9AL3MBTL1MAPT
SCHEMBL24037352 0.82 HTR2B (0.46) KDM4ENPC1RAB9AMAPTKMT2A
SCHEMBL24795600 0.78 PDPK1 (0.40) PDPK1KDM4ENPC1RAB9AL3MBTL1
SCHEMBL18222854 0.77 SRC (0.38) NPC1RAB9AADORA3ADORA1ADORA2A
SCHEMBL29823704 0.77 SRC (0.38) NPC1RAB9AADORA3ADORA1ADORA2A
SCHEMBL23503946 0.76 SCN9A (0.46) KDM4ENPC1RAB9ANPSR1ALDH1A1
SCHEMBL30460682 0.73 MAPT (0.37) PDPK1KDM4EMAPTKMT2AATR
SCHEMBL3761424 0.73 NPC1 (0.50) KDM4ENPC1RAB9AL3MBTL1MAPT
SCHEMBL23170962 0.71 CYP2A6 (0.42) KDM4ENPC1RAB9AL3MBTL1MAPT
SCHEMBL2576162 0.70 PDPK1 (0.46) PDPK1KDM4ENPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402877-A1 ELECTROLUMINESCENT DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-12-22 US disclosed
US-11325932-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2022-05-10 US disclosed
US-20200283462-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION, 2020-09-10 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
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-20150299190-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY NANT HOLDINGS IP, LLC 2015-10-22 US disclosed
US-7445857-B2 Organometallic complex and organic electroluminescent devices utilizing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2008-11-04 US disclosed
US-7445857-B2 Organometallic complex and organic electroluminescent devices utilizing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2008-11-04 US disclosed
US-20070237981-A1 Organometallic complex and organic electroluminescent devices utilizing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE 2007-10-11 US disclosed
US-20070237981-A1 Organometallic complex and organic electroluminescent devices utilizing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE 2007-10-11 US 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 (6 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 PDPK1 715/4885KDM4E 2841/4885NPC1 3665/4885
US-20220402877-A1 ELECTROLUMINESCENT DEVICE MCOLN2, MCOLN1, LDHB PDPK1 3852/4885KDM4E 1211/4885NPC1 2599/4885
US-20200283462-A1 Organic Electroluminescent Materials and Devices L1CAM, KCNN4, ITGB4 PDPK1 4267/4885KDM4E 1634/4885NPC1 2504/4885
US-20150299190-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY SMO, SHH, SOS1 PDPK1 715/4885KDM4E 2841/4885NPC1 3665/4885
US-20170135992-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY SMO, SHH, SOS1 PDPK1 715/4885KDM4E 2841/4885NPC1 3665/4885
US-11325932-B2 Organic electroluminescent materials and devices L1CAM, RTN4, KCNN4 PDPK1 4467/4885KDM4E 2017/4885NPC1 3444/4885

“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.