SCHEMBL6675441

SCHEMBL6675441

COc1nc(C)c(C(C)=O)cc1N=C(NO)N1CCN(c2ccccc2SC)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CYP2C19 P33261 1/20 0.35
DRD2 P14416 5/20 0.34
HTR1A P08908 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33

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
SCHEMBL6678502 0.91 DRD4 (0.33) RAB9ANPC1HTTKMT2AMEN1
SCHEMBL6675058 0.88 KMT2A (0.34) RAB9ANPC1HTTKMT2AMEN1
SCHEMBL6675013 0.87 DRD2 (0.35) RAB9ANPC1HTTKMT2AMEN1
SCHEMBL6677259 0.86 RXFP1 (0.47) HTTKMT2AMEN1ALDH1A1LMNA
SCHEMBL6673642 0.85 THRB (0.37) RAB9ANPC1HTTKMT2AMEN1
SCHEMBL6676096 0.85 KMT2A (0.32) RAB9ANPC1HTTKMT2AMEN1
SCHEMBL6673300 0.84 MEN1 (0.31) RAB9ANPC1HTTKMT2AMEN1
SCHEMBL6675909 0.82 PHGDH (0.40) KMT2AMEN1SMN1; SMN2POLBLMNA
SCHEMBL6675144 0.82 MAPT (0.39) NPC1KMT2AMEN1CYP2C19ALDH1A1
SCHEMBL6675674 0.81 MAPT (0.46) RAB9AHTTKMT2AMEN1SMN1; SMN2

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 RAB9A 2925/4885NPC1 287/4885HTT 3774/4885

“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.