SCHEMBL3841701

SCHEMBL3841701

COC(=O)CCCC(=O)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.58
HDAC8 Q9BY41 5/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CYP1A2 P05177 1/20 0.56
ATM Q13315 1/20 0.56
HPGD P15428 2/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
PDE4B Q07343 1/20 0.50
NPC1 O15118 3/20 0.49
GSK3B P49841 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 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
SCHEMBL7243792 0.97 HDAC1 (0.63) HDAC1HDAC8KMT2AMEN1L3MBTL1
SCHEMBL25169970 0.95 HDAC1 (0.66) HDAC1HDAC8KMT2AMEN1L3MBTL1
SCHEMBL7398 0.89 KMT2A (0.64) HDAC1HDAC8KMT2AMEN1L3MBTL1
SCHEMBL7925389 0.85 KMT2A (0.59) HDAC1HDAC8KMT2AMEN1L3MBTL1
SCHEMBL14982196 0.85 KMT2A (0.52) HDAC1HDAC8KMT2AMEN1L3MBTL1
SCHEMBL28440147 0.84 PDE4B (0.56) HDAC1HDAC8KMT2AL3MBTL1MAPT
SCHEMBL14842796 0.83 KMT2A (0.65) HDAC1HDAC8KMT2AMEN1L3MBTL1
SCHEMBL9541227 0.83 PDE4B (0.73) HDAC1HDAC8KMT2AL3MBTL1ALDH1A1
SCHEMBL1533298 0.83 NPC1 (0.72) KMT2AMEN1L3MBTL1ALDH1A1TSHR
SCHEMBL7467309 0.83 TSHR (0.52) KMT2AMEN1L3MBTL1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 EP disclosed
US-7078420-B2 Spiro-hydantoin compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-18 US disclosed
US-6977267-B2 Spiro-hydantoin compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-20 US disclosed
CN-1596253-A Spiro-hydantoin compounds useful as anti-inflammatory agents BRISTOL MYERS SQUIBB CO (US) 2005-03-16 CN disclosed
US-20050004153-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents DHAR T G MURALI (US) 2005-01-06 US disclosed
US-20040259897-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents DHAR T G MURALI (US) 2004-12-23 US disclosed
EP-1432700-A4 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-22 EP disclosed
US-20040248920-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents DHAR T G MURALI (US) 2004-12-09 US disclosed
EP-1432700-A1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS Bristol-Myers Squibb Company (US) 2004-06-30 EP disclosed
US-20040009998-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents CEREP SA (FR) 2004-01-15 US disclosed
WO-2003029245-A1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-10 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-20040259897-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents ICAM1, VCAM1, SELL HDAC1 33/4885HDAC8 216/4885KMT2A 1504/4885
US-20040248920-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents ICAM1, VCAM1, SELL HDAC1 33/4885HDAC8 216/4885KMT2A 1504/4885
US-20040009998-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents ICAM1, VCAM1, SELL HDAC1 33/4885HDAC8 211/4885KMT2A 1444/4885
US-20050004153-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents ICAM1, VCAM1, ITGA4 HDAC1 60/4885HDAC8 317/4885KMT2A 1029/4885

“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.