SCHEMBL6677259

SCHEMBL6677259

COc1nc(C)c(C(C)=O)cc1N=C(NO)N1CCN(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 4/20 0.39
HTT P42858 1/20 0.39
SLC1A2 P43004 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RBP4 P02753 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL6675492 0.92 MAPT (0.45) HSD17B10KMT2AALDH1A1KDM4EGLA
SCHEMBL6675144 0.92 MAPT (0.39) RXFP1HSD17B10KMT2AALDH1A1L3MBTL1
SCHEMBL6675909 0.90 PHGDH (0.40) RXFP1HSD17B10KMT2AL3MBTL1GAA
SCHEMBL6675105 0.89 LMNA (0.37) RXFP1HSD17B10KMT2AALDH1A1KDM4E
SCHEMBL6676221 0.88 RXFP1 (0.34) RXFP1HSD17B10KMT2AALDH1A1LMNA
SCHEMBL6672088 0.87 HSD17B10 (0.43) HSD17B10KMT2AALDH1A1KDM4EGLA
SCHEMBL6675441 0.86 RAB9A (0.36) RXFP1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL6674452 0.85 HSD17B10 (0.42) HSD17B10KMT2AALDH1A1KDM4EGLA
SCHEMBL6673384 0.85 GAA (0.39) HSD17B10KMT2AKDM4EL3MBTL1GAA
SCHEMBL6673102 0.83 KDM4E (0.46) KMT2AALDH1A1KDM4EL3MBTL1LMNA

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-1424072-A1 N'-(pyridin-3-yl)-(4-phenylpiperazin-1-yl)-carboxyimidamide and -iminothiolate derivatives for the treatment of tumors Samjin Pharmaceutical Co., Ltd. (KR) 2004-06-02 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 RXFP1 2417/4885HSD17B10 1124/4885KMT2A 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.