SCHEMBL5360905

SCHEMBL5360905

O=C(CBr)Nc1ccccc1Br

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.58
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPK1 P28482 1/20 0.58
LMNA P02545 2/20 0.57
RAB9A P51151 2/20 0.57
MEN1 O00255 2/20 0.55
HTT P42858 2/20 0.55
NPC1 O15118 1/20 0.55
HPGD P15428 2/20 0.53
TDP1 Q9NUW8 2/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL1939816 0.87 MAPK1 (0.50) KMT2AALDH1A1MAPK1MEN1HTT
SCHEMBL29531243 0.87 MAPK1 (0.50) KMT2AALDH1A1MAPK1MEN1HTT
SCHEMBL1562128 0.82 ALDH1A1 (0.57) L3MBTL1KMT2AALDH1A1MAPK1LMNA
SCHEMBL15338073 0.82 L3MBTL1 (0.57) L3MBTL1KMT2AALDH1A1MAPK1LMNA
SCHEMBL3865714 0.82 L3MBTL1 (0.61) L3MBTL1KMT2AALDH1A1MAPK1LMNA
SCHEMBL15145819 0.82 CA1 (0.62) L3MBTL1KMT2AALDH1A1MAPK1LMNA
SCHEMBL6361102 0.82 KMT2A (0.57) L3MBTL1KMT2AALDH1A1MAPK1LMNA
SCHEMBL24811439 0.81 RAB9A (0.62) L3MBTL1KMT2AALDH1A1MAPK1LMNA
SCHEMBL1116453 0.81 LMNA (0.58) L3MBTL1KMT2AALDH1A1MAPK1LMNA
SCHEMBL17550098 0.80 KDM1A (0.62) KMT2AALDH1A1LMNARAB9AMEN1

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
CN-104876849-B Indole derivative and applications thereof 昆明理工大学 2017-05-10 CN disclosed
WO-2007132179-A2 THERAPEUTICS COMPRISING PYRIDINIUM DERIVATIVES UNIVERSITY OF BATH (GB) 2007-11-22 WO disclosed
WO-2007132179-A2 THERAPEUTICS COMPRISING PYRIDINIUM DERIVATIVES UNIVERSITY OF BATH (GB) 2007-11-22 WO disclosed
US-20070105810-A1 THERAPEUTICS POTTER BARRY V L 2007-05-10 US disclosed
US-20070105810-A1 THERAPEUTICS POTTER BARRY V L 2007-05-10 US disclosed
US-20070105810-A1 THERAPEUTICS POTTER BARRY V L 2007-05-10 US disclosed
EP-1689714-A2 THERAPEUTIC USE OF PYRIDINIUM COMPOUNDS TO MODULATE NAADP ACTIVITY UNIVERSITY OF BATH (GB) 2006-08-16 EP disclosed
WO-2005054198-A2 THERAPEUTICS USE OF PYRIDINIUM COMPOUNDS TO MODULATE NAADP ACTIVITY UNIVERSITY OF BATH (GB) 2005-06-16 WO disclosed
EP-1126843-A4 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2005-06-15 EP disclosed
US-6399773-B1 AUTOIMMUNE DISEASE; TRANSPLANTING ORGANS BRISTOL-MYERS SQUIBB CO. 2002-06-04 US disclosed
EP-1126843-A1 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-29 EP disclosed
WO-2000025780-A1 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-11 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 (1 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-20070105810-A1 THERAPEUTICS RYR1, ATP2A1, CACNA1E L3MBTL1 3603/4885KMT2A 3979/4885ALDH1A1 2886/4885

“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.