SCHEMBL6559804

SCHEMBL6559804

CCOc1nc2ccccc2nc1NC(=O)N1CCN(c2cc(OC)cc(OC)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
NAMPT P43490 1/20 0.46
GAA P10253 2/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
FAAH O00519 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6559685 0.91 MAPT (0.50) MAPTSMN1; SMN2ALDH1A1MAPK1NAMPT
SCHEMBL6560436 0.89 MAPT (0.48) MAPTSMN1; SMN2ALDH1A1MAPK1KMT2A
SCHEMBL6560420 0.89 KDM4E (0.47) MAPTSMN1; SMN2ALDH1A1MAPK1GAA
SCHEMBL6561340 0.88 HTR1A (0.46) MAPTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL19457746 0.86 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1MAPK1NAMPT
SCHEMBL20893633 0.86 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1MAPK1NAMPT
SCHEMBL20893542 0.85 MAPT (0.42) MAPTALDH1A1MAPK1NAMPTKMT2A
SCHEMBL6562205 0.84 MAPT (0.45) MAPTSMN1; SMN2ALDH1A1MAPK1GAA
SCHEMBL6785470 0.84 TP53 (0.50) ALDH1A1KMT2ALMNATP53KDM4E
SCHEMBL20893549 0.84 MAPT (0.44) MAPTSMN1; SMN2ALDH1A1MAPK1NAMPT

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 3 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

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 MAPT 4877/4885SMN1; SMN2 2466/4885ALDH1A1 58/4885

“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.