SCHEMBL13993308

SCHEMBL13993308

COC(=O)c1sc(Cl)nc1-c1ncccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 2/20 0.37
ALOX15 P16050 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL509728 0.86 LMNA (0.46) KMT2AKDM4EGAACYP1A2CYP2C9
SCHEMBL3406390 0.76 LMNA (0.41) NPSR1KMT2AKDM4EGAAPOLB
SCHEMBL11278098 0.75 LMNA (0.64) NPSR1KMT2AGAACYP1A2CYP2C9
SCHEMBL9750566 0.73 CDC7 (0.51) KMT2AKDM4EGAALMNAMAPT
SCHEMBL3405221 0.73 LMNA (0.41) NPSR1KMT2AKDM4EGAACYP1A2
SCHEMBL11289442 0.72 MAPT (0.52) NPSR1KMT2AKDM4EGAALMNA
SCHEMBL27164890 0.72 ALDH1A1 (0.42) KMT2AKDM4ETDP1LMNAHPGD
SCHEMBL28140144 0.72 GAA (0.50) NPSR1KMT2AGAAPOLBLMNA
SCHEMBL3406697 0.72 ECE1 (0.44) NPSR1KMT2AKDM4EGAACYP1A2
SCHEMBL3406920 0.72 ALDH1A1 (0.43) KMT2AKDM4EGAACYP1A2POLB

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-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 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-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 NISCH, PIR, QDPR NPSR1 485/4885KMT2A 3382/4885KDM4E 3497/4885

“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.