SCHEMBL8239574

SCHEMBL8239574

COC(=O)CNCc1ccc(C)s1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
THRB P10828 2/20 0.50
PRMT6 Q96LA8 1/20 0.50
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
EPHX2 P34913 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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 0.82 TP53 (0.40) TP53ALDH1A1KMT2AMEN1KDM4E
SCHEMBL9372873 0.76 RPS6KB2 (0.52) PRMT6ALDH1A1KMT2ALMNAKDM4E
SCHEMBL21789041 0.73 POLB (0.51) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL2719762 0.72 PRMT6 (0.63) TP53THRBPRMT6ALDH1A1KMT2A
SCHEMBL12727389 0.72 ALDH1A1 (0.42) TP53ALDH1A1KMT2AMEN1KDM4E
SCHEMBL9971312 0.72 ALDH1A1 (0.58) TP53THRBPRMT6ALDH1A1KMT2A
SCHEMBL967698 0.71 PRMT6 (0.52) TP53THRBPRMT6ALDH1A1KMT2A
SCHEMBL6811685 0.70 KMT2A (0.50) ALDH1A1KMT2ALMNAMEN1KDM4E
SCHEMBL8791087 0.70 POLB (0.71) ALDH1A1KMT2ALMNAMAPTL3MBTL1
SCHEMBL5350063 0.69 CA1 (0.56) TP53THRBALDH1A1KMT2AMEN1

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 4157/4885THRB 329/4885PRMT6 3012/4885
US-20070254916-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F9, F3 TP53 4563/4885THRB 1049/4885PRMT6 3788/4885
US-20050171148-A1 Aryl and heteroaryl compounds, compositions, methods of use TFPI, F3, F2 TP53 4534/4885THRB 1135/4885PRMT6 3623/4885

“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.