SCHEMBL6672092

SCHEMBL6672092

COc1nc(C)c(C)cc1NC(=NO)N1CCN(c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
POLB P06746 2/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
RBP4 P02753 1/20 0.41
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC1A2 P43004 1/20 0.39
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6675426 0.92 CYP3A4 (0.48) HSD17B10POLBCYP3A4CYP2C19MAPT
SCHEMBL6672546 0.91 HSD17B10 (0.42) HSD17B10KMT2AMEN1POLBCYP3A4
SCHEMBL6672614 0.89 PHGDH (0.45) HSD17B10KMT2AMEN1POLBCYP3A4
SCHEMBL6676269 0.89 KMT2A (0.38) HSD17B10KMT2AMEN1POLBCYP3A4
SCHEMBL6675980 0.88 PHGDH (0.41) HSD17B10KMT2AMEN1CYP3A4CYP2C19
SCHEMBL6674458 0.88 HSD17B10 (0.42) HSD17B10KMT2AMEN1POLBRBP4
SCHEMBL6675499 0.87 MAPT (0.49) HSD17B10KMT2AMEN1CYP3A4CYP2C19
SCHEMBL6676126 0.87 HSD17B10 (0.40) HSD17B10KMT2AMEN1POLBCYP3A4
SCHEMBL6677266 0.87 RXFP1 (0.47) HSD17B10KMT2AMEN1POLBCYP3A4
SCHEMBL6672530 0.87 PHGDH (0.48) KMT2AMEN1CYP3A4CYP2C19MAPT

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 2664/4885MEN1 3862/4885

“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.