SCHEMBL617400

SCHEMBL617400

CCSc1nc2ccc(N)cc2s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.69
MAPT P10636 10/20 0.64
ALDH1A1 P00352 8/20 0.64
HPGD P15428 4/20 0.64
SHMT2 P34897 1/20 0.64
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
LMNA P02545 1/20 0.63
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 3/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
KDM4E B2RXH2 3/20 0.49
GLA P06280 3/20 0.49
GAA P10253 3/20 0.49
PKM P14618 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL303693 0.84 KEAP1 (0.60) KEAP1MAPTALDH1A1HPGDSHMT2
SCHEMBL304698 0.81 KEAP1 (1.00) KEAP1MAPTALDH1A1HPGDSHMT2
SCHEMBL865987 0.81 KEAP1 (0.74) KEAP1MAPTALDH1A1HPGDSHMT2
SCHEMBL617539 0.81 MAPT (0.63) KEAP1MAPTALDH1A1HPGDSHMT2
SCHEMBL624557 0.80 KEAP1 (0.59) KEAP1MAPTALDH1A1HPGDSHMT2
SCHEMBL10521779 0.80 KEAP1 (0.72) KEAP1MAPTALDH1A1HPGDSHMT2
SCHEMBL8991265 0.79 MAPT (0.74) KEAP1MAPTALDH1A1HPGDSHMT2
SCHEMBL27835642 0.79 MAPT (0.72) KEAP1MAPTALDH1A1HPGDSHMT2
SCHEMBL615683 0.79 MAPT (1.00) KEAP1MAPTALDH1A1HPGDSHMT2
SCHEMBL13762386 0.78 PPARA (0.47) KEAP1MAPTALDH1A1HPGDSHMT2

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
EP-3251694-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit (Oxford) Limited (GB) 2017-12-06 EP disclosed
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2014-01-16 US disclosed
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2014-01-09 US disclosed
US-8518980-B2 Treatment of Duchenne muscular dystrophy SUMMIT CORPORATION PLC (GB) 2013-08-27 US disclosed
US-8501713-B2 Drug combinations for the treatment of duchenne muscular dystrophy SUMMIT CORPORATION PLC (GB) 2013-08-06 US disclosed
US-20120041207-A1 Compound STERIX LIMITED (GB) 2012-02-16 US disclosed
US-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy SUMMIT (OXFORD) LIMITED (GB) 2011-08-11 US disclosed
US-20110009448-A1 Compound STERIX LIMITED 2011-01-13 US disclosed
US-7786152-B2 Compound STERIX LIMITED (GB) 2010-08-31 US disclosed
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT (OXFORD) LIMITED (GB) 2009-03-19 US disclosed
EP-1986633-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit Corporation Plc (GB) 2008-11-05 EP disclosed
US-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer STERIX LIMITED (GB) 2008-05-15 US disclosed
US-7309715-B2 Compound STERIX LIMITED (GB) 2007-12-18 US disclosed
WO-2007091106-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2007-08-16 WO disclosed
EP-1556040-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 Sterix Limited (GB) 2005-07-27 EP disclosed
US-20040143124-A1 Compound STERIX LIMITED (GB) 2004-07-22 US disclosed
WO-2004037251-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 STERIX LIMITED (GB) 2004-05-06 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 (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-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer HSD11B1, HSD3B1, HSD11B2 KEAP1 1606/4885MAPT 4759/4885ALDH1A1 236/4885
US-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy PYGM, CPT1B, GYS1 KEAP1 2233/4885MAPT 3113/4885ALDH1A1 1203/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 KEAP1 2233/4885MAPT 3113/4885ALDH1A1 1203/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 KEAP1 3037/4885MAPT 4858/4885ALDH1A1 1652/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 KEAP1 3037/4885MAPT 4858/4885ALDH1A1 1652/4885
US-20110009448-A1 Compound NR4A1, GPR6, PRMT6 KEAP1 909/4885MAPT 4794/4885ALDH1A1 1319/4885
US-20120041207-A1 Compound NR4A1, GPR6, PRMT6 KEAP1 909/4885MAPT 4794/4885ALDH1A1 1319/4885
US-20040143124-A1 Compound NR4A1, CBR1, NR2C2 KEAP1 563/4885MAPT 4691/4885ALDH1A1 553/4885

“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.