SCHEMBL8427675

SCHEMBL8427675

C=C(C)OC(=O)CNCc1ccc(Br)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 2/20 0.31
HTT P42858 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
GSK3B P49841 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
CES2 O00748 1/20 0.31

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
SCHEMBL8233113 0.84 TP53 (0.40) L3MBTL1KDM4ETDP1TP53HDAC1
SCHEMBL4640811 0.79 VSIR (0.36) L3MBTL1TP53HDAC1HDAC6KMT2A
SCHEMBL31248413 0.72 HPGD (0.40) L3MBTL1TP53HDAC1HDAC6KMT2A
SCHEMBL12784888 0.71 ALDH1A1 (0.57) L3MBTL1KDM4ETDP1HDAC1HDAC6
SCHEMBL11926823 0.70 L3MBTL1 (0.34) L3MBTL1KDM4ETDP1ALDH1A1NPC1
SCHEMBL14144432 0.68 P2RX7 (0.32) KDM4EKMT2AMEN1
SCHEMBL1598343 0.67 HDAC1 (0.44) L3MBTL1KDM4ETDP1TP53HDAC1
SCHEMBL8239574 0.67 TP53 (0.50) L3MBTL1KDM4ETDP1TP53KMT2A
SCHEMBL11946806 0.67 ALDH1A1 (0.51) L3MBTL1KMT2AALDH1A1HPGDMAPT
SCHEMBL31248385 0.67 KMT2A (0.48) L3MBTL1KDM4ETDP1KMT2AALDH1A1

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 4 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-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-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 L3MBTL1 3897/4885KDM4E 2311/4885TDP1 3964/4885
US-20070254916-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F9, F3 L3MBTL1 3311/4885KDM4E 1084/4885TDP1 3344/4885
US-20050171148-A1 Aryl and heteroaryl compounds, compositions, methods of use TFPI, F3, F2 L3MBTL1 3190/4885KDM4E 1338/4885TDP1 3479/4885

“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.