SCHEMBL6076744

SCHEMBL6076744

CC(C)CONCc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
ANPEP P15144 1/20 0.39
NPC1 O15118 1/20 0.39
CHRM2 P08172 1/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL16302331 0.81 CYP1A2 (0.42) LMNAKMT2AMEN1GAANPC1
SCHEMBL5498745 0.81 MAPT (0.47) HPGDKMT2AMEN1L3MBTL1KDM4E
SCHEMBL6077314 0.79 LMNA (0.53) HPGDLMNAKMT2AMEN1GAA
SCHEMBL2441746 0.76 PLA2G1B (0.45) LMNAKMT2AMEN1PLA2G1BATG4B
SCHEMBL3971719 0.74 LMNA (0.52) HPGDLMNATSHRKMT2AMEN1
SCHEMBL20766915 0.74 NPC1 (0.59) LMNAKMT2AMEN1NPC1CHRM2
SCHEMBL7157405 0.73 PLA2G1B (0.47) LMNAKMT2APLA2G1BATG4BCHRM2
SCHEMBL6871225 0.72 LMNA (0.41) LMNAKMT2AMEN1PLA2G1BATG4B
SCHEMBL6877846 0.71 TAAR1 (0.52) LMNAPLA2G1BATG4BKDM4E
SCHEMBL170986 0.71 LMNA (0.64) HPGDLMNAKMT2AMEN1PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
CN-1617849-A HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2005-05-18 CN disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2004004657-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 WO disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 US 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 (2 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-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF HPGD 1650/4885LMNA 3521/4885TSHR 4830/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 HPGD 3667/4885LMNA 2590/4885TSHR 4530/4885

“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.