SCHEMBL6672088

SCHEMBL6672088

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 1/20 0.39
MEN1 O00255 4/20 0.37
POLB P06746 3/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLC1A2 P43004 1/20 0.36
RBP4 P02753 1/20 0.36
DHFR P00374 1/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL6675422 0.92 CYP3A4 (0.41) HSD17B10KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL6672542 0.91 HSD17B10 (0.40) HSD17B10KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL6676264 0.90 KMT2A (0.39) HSD17B10KMT2AALDH1A1MEN1POLB
SCHEMBL6672608 0.89 PHGDH (0.43) HSD17B10KMT2AALDH1A1L3MBTL1MEN1
SCHEMBL6675972 0.88 PHGDH (0.38) HSD17B10KMT2AMEN1POLBCYP1A2
SCHEMBL6674452 0.88 HSD17B10 (0.42) HSD17B10KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL6677259 0.87 RXFP1 (0.47) HSD17B10KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL6675492 0.87 MAPT (0.45) HSD17B10KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL6676120 0.87 HSD17B10 (0.40) HSD17B10KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL6672526 0.87 ALDH1A1 (0.47) KMT2AALDH1A1MAPTHTTCYP1A2

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 HSD17B10 1124/4885KMT2A 2664/4885ALDH1A1 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.