SCHEMBL6903577

SCHEMBL6903577

COc1nc(C)c(C(C)N)cc1NC(=NO)N1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.35
KMT2A Q03164 7/20 0.35
ALDH1A1 P00352 7/20 0.35
MEN1 O00255 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
GAA P10253 2/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 3/20 0.32
USP8 P40818 1/20 0.31
USP7 Q93009 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL6672556 0.88 KMT2A (0.38) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL6674977 0.87 PHGDH (0.37) KMT2AMEN1LMNA
SCHEMBL6673417 0.86 PHGDH (0.41) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL6674715 0.85 ALDH1A1 (0.37) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL6672681 0.85 CYP3A4 (0.32)
SCHEMBL6673720 0.84 MAPT (0.35) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL6674355 0.83 MAPT (0.33) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL6675115 0.80 KMT2A (0.38) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL6675530 0.78 PHGDH (0.38) KMT2AMEN1LMNA
SCHEMBL6674803 0.78 PHGDH (0.42) MAPTKMT2AALDH1A1MEN1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2664/4885ALDH1A1 58/4885

“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.