SCHEMBL1977403

SCHEMBL1977403

COC(=O)c1ccc(CN)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 1/20 0.51
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
HPGD P15428 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
LOX P28300 4/20 0.48
LOXL2 Q9Y4K0 2/20 0.46
PARP1 P09874 1/20 0.45
TP53 P04637 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38

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
Hydrochloric Acid SCHEMBL28379952 0.98 NPSR1 (0.50) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL2412998 0.86 HPGD (0.50) NPSR1LMNAPPARGNCOA2NCOA1
Hydrochloric Acid SCHEMBL2410455 0.84 HPGD (0.49) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL11984343 0.83 HPGD (0.56) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL1401544 0.83 LMNA (0.53) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL2160994 0.83 HPGD (0.51) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL2160349 0.82 HPGD (0.54) NPSR1LMNAPPARGNCOA2NCOA1
Hydrochloric Acid SCHEMBL5725652 0.82 HPGD (0.50) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL348559 0.81 LMNA (0.51) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL14135378 0.81 LMNA (0.51) NPSR1LMNAPPARGNCOA2NCOA1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220280476-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-09-08 US disclosed
WO-2020227097-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed
EP-2528908-B1 THERAPEUTIC AGENTS FOR TREATMENT OF OCULAR HYPERTENSION ALLERGAN INC (US) 2019-03-13 EP disclosed
US-9090584-B2 Therapeutic agents for treatment of ocular hypertension ALLERGAN, INC. (US) 2015-07-28 US disclosed
EP-2528908-A1 THERAPEUTIC AGENTS FOR TREATMENT OF OCULAR HYPERTENSION Allergan, Inc. (US) 2012-12-05 EP disclosed
WO-2011094231-A1 THERAPEUTIC AGENTS FOR TREATMENT OF OCULAR HYPERTENSION ALLERGAN, INC. (US) 2011-08-04 WO disclosed
US-20110184055-A1 THERAPEUTIC AGENTS FOR TREATMENT OF OCULAR HYPERTENSION ALLERGAN, INC. (US) 2011-07-28 US disclosed
US-20110144069-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INCORPORATED (US) 2011-06-16 US disclosed
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
WO-2008115281-A2 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INC. (US) 2008-09-25 WO disclosed
US-20080221083-A1 Heterobicyclic metalloprotease inhibitors HOCHGURTEL MATTHIAS 2008-09-11 US disclosed
US-20080207573-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INCORPORATED (US) 2008-08-28 US disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
WO-2008002671-A2 METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-01-03 WO disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-4410532-A N-Substituted aziridine-2-carboxylic acid derivatives and their immuno-stimulation compositions and methods BOEHRINGER MANNHEIM GMBH (DE) 1983-10-18 US disclosed
US-4409236-A N-Substituted aziridine-2-carboxylic acid derivatives and immuno-stimulation composition and method BOEHRINGER MANNHEIM GMBH (DE) 1983-10-11 US disclosed
US-4321194-A N-Substituted aziridine-2-carboxylic acid derivatives for immuno stimulation BOEHRINGER MANNHEIM GMBH (DE) 1982-03-23 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 (8 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-20220280476-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 NPSR1 2433/4885LMNA 1423/4885PPARG 4045/4885
US-20080221083-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 NPSR1 2291/4885LMNA 2478/4885PPARG 3554/4885
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 NPSR1 154/4885LMNA 4640/4885PPARG 720/4885
US-20110184055-A1 THERAPEUTIC AGENTS FOR TREATMENT OF OCULAR HYPERTENSION PTGIR, PTGIS, AGTR2 NPSR1 1074/4885LMNA 3581/4885PPARG 419/4885
US-20080207573-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, CCL11 NPSR1 2311/4885LMNA 2353/4885PPARG 487/4885
US-20110144069-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, CCL11 NPSR1 2311/4885LMNA 2353/4885PPARG 487/4885
US-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 NPSR1 991/4885LMNA 2158/4885PPARG 3162/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 NPSR1 2352/4885LMNA 2387/4885PPARG 3832/4885

“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.