SCHEMBL2249659

SCHEMBL2249659

CCn1c(C)nc2cc(C(=O)Nc3ccccc3)ccc21

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.78
NPC1 O15118 8/20 0.78
ALPL P05186 1/20 0.78
ALPI P09923 1/20 0.78
ALPG P10696 1/20 0.78
SMN1; SMN2 Q16637 4/20 0.66
MAPT P10636 8/20 0.65
GAA P10253 6/20 0.65
ALDH1A1 P00352 5/20 0.65
KMT2A Q03164 4/20 0.65
KDM4E B2RXH2 3/20 0.65
LMNA P02545 3/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
RECQL P46063 1/20 0.61
MEN1 O00255 2/20 0.60
HTT P42858 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
HDAC6 Q9UBN7 1/20 0.59

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
SCHEMBL12501809 0.88 ALDH1A1 (0.64) RAB9ANPC1ALPLALPIALPG
SCHEMBL12501964 0.87 RAB9A (0.61) RAB9ANPC1ALPLALPIALPG
SCHEMBL12501975 0.85 ALDH1A1 (0.61) RAB9ANPC1ALPLALPIALPG
SCHEMBL26336323 0.82 RAB9A (0.73) RAB9ANPC1ALPLALPIALPG
SCHEMBL1731013 0.82 KMT2A (0.76) RAB9ANPC1ALPLALPIALPG
SCHEMBL6112835 0.79 KMT2A (0.76) RAB9ANPC1ALPLALPIALPG
SCHEMBL1731129 0.78 KDM4E (1.00) RAB9ANPC1ALPLALPIALPG
SCHEMBL18191353 0.78 KMT2A (1.00) RAB9ANPC1ALPLALPIALPG
SCHEMBL12010980 0.77 KMT2A (0.62) RAB9ANPC1ALPLALPIALPG
SCHEMBL4726955 0.76 PTGDR2 (0.77) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012102937-A2 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2012-08-02 WO claimed
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
WO-2012102937-A2 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2012-08-02 WO disclosed
US-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy SUMMIT (OXFORD) LIMITED (GB) 2011-08-11 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
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 (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-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy PYGM, CPT1B, GYS1 RAB9A 3748/4885NPC1 2477/4885ALPL 3804/4885
US-20140011782-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY PYGM, CPT1B, GYS1 RAB9A 3748/4885NPC1 2477/4885ALPL 3804/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 RAB9A 4325/4885NPC1 3637/4885ALPL 4649/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 RAB9A 4325/4885NPC1 3637/4885ALPL 4649/4885

“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.