SCHEMBL6897989

SCHEMBL6897989

COc1cc(C)c(C)cc1NC(=NO)N1CCN(c2cccc(Br)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
POLB P06746 4/20 0.41
RBP4 P02753 1/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 3/20 0.39
NPC1 O15118 3/20 0.39
CYP2C9 P11712 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6897563 0.88 KMT2A (0.52) KMT2AMEN1POLBRBP4ALOX15
SCHEMBL6896729 0.88 KMT2A (0.52) KMT2AMEN1POLBRBP4ALOX15
SCHEMBL6776598 0.85 MEN1 (0.57) KMT2AMEN1POLBLMNAPKM
SCHEMBL6676269 0.84 KMT2A (0.38) KMT2AMEN1POLBALOX15TSHR
SCHEMBL6898372 0.84 CYP3A4 (0.47) KMT2AMEN1POLBRBP4LMNA
SCHEMBL6899041 0.84 CYP3A4 (0.52) KMT2AMEN1POLBRBP4LMNA
SCHEMBL6898814 0.82 CYP3A4 (0.42) KMT2AMEN1POLBRBP4LMNA
SCHEMBL6896916 0.81 ALDH1A1 (0.40) KMT2AMEN1POLBRBP4ALOX15
SCHEMBL6897289 0.77 KMT2A (0.44) KMT2AMEN1RBP4TSHRUSP2
SCHEMBL6898381 0.74 CYP3A4 (0.51) KMT2AMEN1POLBRBP4LMNA

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 KMT2A 2664/4885MEN1 3862/4885POLB 2957/4885

“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.