SCHEMBL6674643

SCHEMBL6674643

COc1nc(C)c(CO)cc1N=C(NO)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6675116 0.87 LMNA (0.37) MAPTALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL6676870 0.87 PHGDH (0.40) MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6673102 0.86 KDM4E (0.46) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6896764 0.86 PHGDH (0.36) KMT2AMEN1
SCHEMBL6675864 0.85 PHGDH (0.37) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6674452 0.85 HSD17B10 (0.42) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6675231 0.84 CCR1 (0.32) SMN1; SMN2HTT
SCHEMBL6686206 0.84 NPC1 (0.46) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6674652 0.83 KMT2A (0.46) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6678302 0.81 PHGDH (0.40) MAPTKMT2AALDH1A1HTTNPC1

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 MAPT 4877/4885KMT2A 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.