SCHEMBL6686211

SCHEMBL6686211

COc1nc2ccccc2cc1NC(=NO)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 2/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44
RBP4 P02753 1/20 0.44
HPGD P15428 1/20 0.43
GPR35 Q9HC97 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6956179 0.88 GAA (0.58) KMT2AMEN1NPC1TSHRALOX15
SCHEMBL6650903 0.87 KDM4E (0.59) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL6674580 0.86 GAA (0.43) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL6672235 0.85 PHGDH (0.39) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL6673925 0.84 CCKAR (0.38) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL6673112 0.83 KDM4E (0.50) KMT2AMEN1NPC1TSHRALOX15
SCHEMBL6674652 0.83 KMT2A (0.46) KMT2AMEN1NPC1TSHRALOX15
SCHEMBL6674877 0.81 RAB9A (0.50) KMT2ANPC1ALDH1A1MAPTGAA
SCHEMBL6686206 0.81 NPC1 (0.46) KMT2AMEN1NPC1TSHRALOX15
SCHEMBL6961537 0.80 RBP4 (0.54) KMT2ATSHRALOX15ALDH1A1MAPT

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 KMT2A 2664/4885MEN1 3862/4885NPC1 287/4885

“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.