SCHEMBL6561550

SCHEMBL6561550

COc1nc2ccccc2nc1NC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.53
ALDH1A1 P00352 8/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPK1 P28482 2/20 0.50
TP53 P04637 2/20 0.50
THRB P10828 1/20 0.50
PANK3 Q9H999 1/20 0.50
NAMPT P43490 1/20 0.49
MLLT1 Q03111 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 2/20 0.47
RXFP1 Q9HBX9 1/20 0.46
NPC1 O15118 1/20 0.46
GALR3 O60755 1/20 0.46
NR2F2 P24468 1/20 0.46

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
SCHEMBL3442752 0.90 ALDH1A1 (0.53) MAPTALDH1A1KMT2APOLBLMNA
SCHEMBL6559655 0.90 MAPT (0.61) MAPTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL4927205 0.89 MAPT (0.56) MAPTALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL4929561 0.89 MAPT (0.48) MAPTALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL1138412 0.89 MAPT (0.48) MAPTALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL1138244 0.89 MAPT (0.56) MAPTALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL1138087 0.88 SMN1; SMN2 (0.57) MAPTALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL1138769 0.88 MAPT (0.58) MAPTALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL4922702 0.88 MAPT (0.58) MAPTALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL4917906 0.88 SMN1; SMN2 (0.57) MAPTALDH1A1KMT2ASMN1; SMN2POLB

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 4877/4885ALDH1A1 58/4885KMT2A 2664/4885

“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.