SCHEMBL6561300

SCHEMBL6561300

COc1nc(C)c(C)nc1NC(=O)Sc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
CA12 O43570 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CCR4 P51679 1/20 0.35
P2RX3 P56373 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
PABPC1 P11940 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
PDCD1 Q15116 1/20 0.33

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
SCHEMBL6559647 0.86 HDAC6 (0.45) L3MBTL1LMNAMEN1KMT2AKDM4E
SCHEMBL6962159 0.80 L3MBTL1 (0.40) GAAMAPTSMN1; SMN2L3MBTL1LMNA
Piperazine SCHEMBL7803530 0.80 HDAC6 (0.40) L3MBTL1LMNAMEN1KMT2AKDM4E
SCHEMBL6956204 0.77 SMN1; SMN2 (0.44) GAAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6560675 0.76 ALDH1A1 (0.50) GAAMAPTSMN1; SMN2LMNANPSR1
SCHEMBL6960150 0.74 MAPT (0.35) GAAMAPTSMN1; SMN2L3MBTL1KDM4E
SCHEMBL6956521 0.72 MAPT (0.42) GAAMAPTSMN1; SMN2L3MBTL1NPSR1
SCHEMBL6561301 0.70 KMT2A (0.36) GAACA12CA2CA9MAPT
SCHEMBL6956640 0.70 L3MBTL1 (0.39) MAPTSMN1; SMN2L3MBTL1LMNAMEN1
SCHEMBL6561018 0.69 RBP4 (0.52) GAACA12CA2CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1075469-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2004-05-26 EP disclosed
US-6683184-B2 ANTITUMOR AGENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2004-01-27 US disclosed
US-20030092910-A1 Piperazine derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2003-05-15 US disclosed
EP-1075469-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-02-14 EP disclosed
WO-2000052001-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-09-08 WO 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-20030092910-A1 Piperazine derivatives and process for the preparation thereof CBR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS GAA 4142/4885CA12 1296/4885CA2 53/4885

“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.