SCHEMBL6776598

SCHEMBL6776598

COc1cc(C)c(C)cc1NC(=S)N1CCN(c2cccc(Br)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
POLB P06746 3/20 0.57
PKM P14618 1/20 0.53
NPC1 O15118 1/20 0.53
CYP3A4 P08684 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP2C9 P11712 2/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
CYP1A2 P05177 1/20 0.50
PHGDH O43175 1/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL6961765 0.88 MEN1 (0.58) MEN1KMT2APOLBPKMNPC1
SCHEMBL6780561 0.88 MEN1 (0.73) MEN1KMT2APOLBNPC1CYP3A4
SCHEMBL6780980 0.87 KDM4E (0.61) MEN1KMT2APOLBPKMNPC1
SCHEMBL6897989 0.85 KMT2A (0.41) MEN1KMT2APOLBPKMNPC1
SCHEMBL6652129 0.83 PHGDH (0.50) MEN1KMT2APOLBPKMNPC1
SCHEMBL6783848 0.83 KMT2A (0.63) MEN1KMT2APOLBPKMNPC1
SCHEMBL6782760 0.83 CYP3A4 (0.66) MEN1KMT2APOLBNPC1CYP3A4
SCHEMBL6786898 0.82 CYP3A4 (0.55) MEN1KMT2APOLBPKMCYP3A4
SCHEMBL6958288 0.80 KMT2A (0.78) MEN1KMT2APOLBCYP3A4CYP2C19
SCHEMBL6960488 0.80 PHGDH (0.55) MEN1KMT2APOLBCYP3A4CYP2C19

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 MEN1 3862/4885KMT2A 2664/4885POLB 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.