SCHEMBL6674458

SCHEMBL6674458

CCc1cc(NC(=NO)N2CCN(c3ccccc3)CC2)c(OC)nc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
RBP4 P02753 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
SLC1A2 P43004 1/20 0.39
TP53 P04637 1/20 0.39
GFER P55789 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
SCHEMBL6678312 0.90 PHGDH (0.42) HSD17B10KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL6678798 0.90 KMT2A (0.39) RBP4KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL6674781 0.89 PHGDH (0.38) HSD17B10KMT2AMEN1ALDH1A1MAPT
SCHEMBL6675867 0.88 PHGDH (0.39) HSD17B10RBP4KMT2AMEN1MAPT
SCHEMBL6672092 0.88 HSD17B10 (0.43) HSD17B10RBP4KMT2AMEN1ALDH1A1
SCHEMBL6673633 0.88 PKM (0.46) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6671809 0.87 ALDH1A1 (0.36) HSD17B10ALDH1A1L3MBTL1MAPTLMNA
SCHEMBL8704931 0.87 RBP4 (0.57) HSD17B10RBP4KMT2AMEN1ALDH1A1
SCHEMBL6651274 0.86 MEN1 (0.54) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6675499 0.85 MAPT (0.49) HSD17B10RBP4KMT2AMEN1ALDH1A1

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 1124/4885RBP4 4204/4885KMT2A 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.