SCHEMBL6896729

SCHEMBL6896729

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
TSHR P16473 3/20 0.52
MEN1 O00255 3/20 0.52
NPC1 O15118 2/20 0.52
ALOX15 P16050 1/20 0.52
RBP4 P02753 1/20 0.52
ALDH1A1 P00352 5/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 3/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
ABL1 P00519 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45

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) KMT2ATSHRMEN1ALOX15RBP4
SCHEMBL6897989 0.88 KMT2A (0.41) KMT2ATSHRMEN1NPC1ALOX15
SCHEMBL6959670 0.86 RBP4 (0.69) KMT2ATSHRMEN1NPC1ALOX15
SCHEMBL6780980 0.85 KDM4E (0.61) KMT2ATSHRMEN1NPC1ALOX15
SCHEMBL6899041 0.84 CYP3A4 (0.52) KMT2AMEN1NPC1RBP4ALDH1A1
SCHEMBL6898372 0.84 CYP3A4 (0.47) KMT2AMEN1RBP4ALDH1A1MAPT
SCHEMBL6898814 0.82 CYP3A4 (0.42) KMT2AMEN1RBP4ALDH1A1MAPT
SCHEMBL6896916 0.81 ALDH1A1 (0.40) KMT2ATSHRMEN1ALOX15RBP4
SCHEMBL6897289 0.79 KMT2A (0.44) KMT2ATSHRMEN1RBP4ALDH1A1
SCHEMBL6686211 0.78 KMT2A (0.46) KMT2ATSHRMEN1NPC1ALOX15

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 2664/4885TSHR 3456/4885MEN1 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.