SCHEMBL6673633

SCHEMBL6673633

CCc1cc(NC(=NO)N2CCN(c3ccccc3OC)CC2)c(OC)nc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
PHGDH O43175 1/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NTSR1 P30989 1/20 0.43
LMNA P02545 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 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
SCHEMBL6678798 0.93 KMT2A (0.39) PKMPHGDHMAPTRAB9AALDH1A1
SCHEMBL6672530 0.89 PHGDH (0.48) PKMPHGDHMAPTRAB9AALDH1A1
SCHEMBL8705983 0.88 MAPT (0.57) PKMMAPTRAB9AALDH1A1KMT2A
SCHEMBL6674458 0.88 HSD17B10 (0.42) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL6652670 0.87 PHGDH (0.58) PHGDHMAPTALDH1A1KMT2AMEN1
SCHEMBL6675678 0.86 MAPT (0.46) PKMPHGDHMAPTRAB9AALDH1A1
SCHEMBL6678312 0.84 PHGDH (0.42) PHGDHMAPTALDH1A1KMT2AGAA
SCHEMBL6674877 0.84 RAB9A (0.50) PHGDHMAPTRAB9AALDH1A1KMT2A
SCHEMBL6674781 0.83 PHGDH (0.38) PKMPHGDHMAPTALDH1A1KMT2A
SCHEMBL8701406 0.82 KMT2A (0.64) MAPTALDH1A1KMT2ATSHRMEN1

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 PKM 2887/4885PHGDH 2923/4885MAPT 4877/4885

“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.