SCHEMBL18484168

SCHEMBL18484168

CCOC(=O)n1nc(NC(=O)c2ccc(CCl)cc2)c2c1CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.41
HDAC6 Q9UBN7 3/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.39
MAPT P10636 5/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
TSHR P16473 1/20 0.34
AURKA O14965 1/20 0.34
GRAMD1A Q96CP6 1/20 0.34
TAOK3 Q9H2K8 1/20 0.34
MMP3 P08254 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
SCHEMBL18471598 0.87 HDAC1 (0.42) HDAC1HDAC6SMN1; SMN2KMT2AMEN1
SCHEMBL2926843 0.85 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AMEN1CYP2C19NPSR1
SCHEMBL2921169 0.84 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMEN1CYP2C19NPSR1
SCHEMBL2921535 0.84 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMEN1CYP2C19NPSR1
SCHEMBL2929524 0.84 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AMEN1CYP2C19NPSR1
SCHEMBL2923195 0.83 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1CYP2C19NPSR1
SCHEMBL2927272 0.81 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1CYP2C19NPSR1
SCHEMBL2928406 0.81 SMN1; SMN2 (0.43) HDAC1SMN1; SMN2KMT2AMEN1CYP2C19
SCHEMBL18484169 0.81 AURKA (0.47) SMN1; SMN2KMT2AMEN1HTTMAPT
SCHEMBL4778421 0.79 ATM (0.38) NPSR1ATMMAPTLMNAKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969753-B2 BCR-ABL diploid inhibitor, synthesizing method therefor, and uses thereof SHENZHEN YONGZE PHARMACEUTICAL CO., LTD. (CN) 2018-05-15 US disclosed
US-20170037061-A1 BCR-ABL Diploid Inhibitor, Synthesizing Method Therefor, and Uses Thereof SHENZHEN YONGZE PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 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 (1 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-20170037061-A1 BCR-ABL Diploid Inhibitor, Synthesizing Method Therefor, and Uses Thereof BCR, ABL1, BOD1L1 HDAC1 1785/4885HDAC6 1983/4885SMN1; SMN2 4833/4885

“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.