SCHEMBL1662751

SCHEMBL1662751

COc1ccc(-c2nc3cc(N)ccc3[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.70
SMN1; SMN2 Q16637 9/20 0.70
ALDH1A1 P00352 8/20 0.70
MEN1 O00255 7/20 0.70
KMT2A Q03164 7/20 0.70
HPGD P15428 7/20 0.70
TP53 P04637 5/20 0.70
PKM P14618 4/20 0.70
POLB P06746 4/20 0.70
LMNA P02545 2/20 0.70
RAB9A P51151 8/20 0.64
KDM4E B2RXH2 7/20 0.64
HPSE Q9Y251 1/20 0.61
RXFP1 Q9HBX9 2/20 0.58
CACNA1B Q00975 1/20 0.58
APBA1 Q02410 1/20 0.58
HTT P42858 3/20 0.58
SLC2A1 P11166 1/20 0.57
MAPT P10636 6/20 0.56
GAA P10253 4/20 0.56

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
SCHEMBL6262977 0.91 NPC1 (0.79) NPC1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL31289469 0.88 ALDH1A1 (0.58) NPC1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1662754 0.88 MEN1 (0.84) NPC1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8768976 0.88 HPSE (0.78) NPC1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL419326 0.88 NPC1 (0.71) NPC1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL30533210 0.87 MEN1 (0.73) NPC1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1655753 0.87 MEN1 (0.73) NPC1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL159873 0.86 ALDH1A1 (0.74) NPC1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8769051 0.86 MEN1 (0.71) NPC1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL30307784 0.86 ALDH1A1 (0.74) NPC1SMN1; SMN2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024219864-A1 NOVEL COMPOUND EXHIBITING SETDB1 INHIBITORY ACTIVITY, AND USE THEREOF 주식회사 넷타겟 2024-10-24 WO disclosed
EP-2542076-B1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME (US) 2021-01-13 EP disclosed
EP-3251694-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit (Oxford) Limited (GB) 2017-12-06 EP disclosed
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9399651-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders Merck, Sharp & Dohme Corp. (US) 2016-07-26 US disclosed
US-20150299227-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2015-10-22 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-9024032-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders MERCK SHARP & DOHME CORP. (US) 2015-05-05 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011109254-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2011-09-09 WO disclosed
US-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy SUMMIT (OXFORD) LIMITED (GB) 2011-08-11 US disclosed
EP-2348855-A2 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION Burnham Institute for Medical Research (US) 2011-08-03 EP disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed
WO-2010033643-A2 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-03-25 WO 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
WO-2007091106-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2007-08-16 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 (5 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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL NPC1 4635/4885SMN1; SMN2 3850/4885ALDH1A1 3228/4885
US-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy PYGM, CPT1B, GYS1 NPC1 2477/4885SMN1; SMN2 4/4885ALDH1A1 1203/4885
US-20150299227-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS COMT, PNMT, TPMT NPC1 2080/4885SMN1; SMN2 2558/4885ALDH1A1 186/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF NPC1 4555/4885SMN1; SMN2 941/4885ALDH1A1 2736/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 NPC1 3637/4885SMN1; SMN2 9/4885ALDH1A1 1652/4885

“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.