SCHEMBL8233113

SCHEMBL8233113

COC(=O)CNCc1ccc(Br)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.37
HPGD P15428 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
GSK3B P49841 2/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MYC P01106 1/20 0.34
DAO P14920 1/20 0.34
KDM4E B2RXH2 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
ESR1 P03372 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL4640811 0.85 VSIR (0.36) TP53L3MBTL1KMT2AHPGDHDAC1
SCHEMBL31248413 0.84 HPGD (0.40) TP53L3MBTL1KMT2AHPGDHDAC1
SCHEMBL8427675 0.84 L3MBTL1 (0.38) TP53L3MBTL1KMT2AHPGDHDAC1
SCHEMBL8239574 0.82 TP53 (0.50) TP53L3MBTL1KMT2AGAAALDH1A1
SCHEMBL1598343 0.80 HDAC1 (0.44) TP53L3MBTL1KMT2AHPGDHDAC1
SCHEMBL5320621 0.77 RPS6KB2 (0.51) L3MBTL1KMT2AHPGDGAANPSR1
SCHEMBL7474007 0.74 HPGD (0.58) L3MBTL1KMT2AHPGDGAANPSR1
SCHEMBL8239568 0.74 ALDH1A1 (0.38) HPGDCES2CES1GSK3BGAA
SCHEMBL31248364 0.74 KMT2A (0.55) KMT2AHPGDGAANPSR1ALDH1A1
SCHEMBL28165831 0.73 HRH3 (0.45) L3MBTL1KMT2AALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124654-A1 Aryl and Heteroaryl Compounds, Compositions, Methods of Use TRANSTECH PHARMA, INC. 2009-05-14 US disclosed
US-20090124654-A1 Aryl and Heteroaryl Compounds, Compositions, Methods of Use TRANSTECH PHARMA, INC. 2009-05-14 US disclosed
US-20070254916-A1 Aryl and heteroaryl compounds, compositions, and methods of use MJALLI ADNAN M 2007-11-01 US disclosed
US-20070254916-A1 Aryl and heteroaryl compounds, compositions, and methods of use MJALLI ADNAN M 2007-11-01 US disclosed
US-7208601-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, LLC 2007-04-24 US disclosed
US-7208601-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, LLC 2007-04-24 US disclosed
US-20050171148-A1 Aryl and heteroaryl compounds, compositions, methods of use TRANSTECH PHARMA, LLC 2005-08-04 US disclosed
US-20050171148-A1 Aryl and heteroaryl compounds, compositions, methods of use TRANSTECH PHARMA, LLC 2005-08-04 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 (3 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-20090124654-A1 Aryl and Heteroaryl Compounds, Compositions, Methods of Use F3, F12, CFH TP53 4157/4885L3MBTL1 3897/4885KMT2A 1874/4885
US-20070254916-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F9, F3 TP53 4563/4885L3MBTL1 3311/4885KMT2A 1257/4885
US-20050171148-A1 Aryl and heteroaryl compounds, compositions, methods of use TFPI, F3, F2 TP53 4534/4885L3MBTL1 3190/4885KMT2A 1437/4885

“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.