SCHEMBL6780775

SCHEMBL6780775

CCc1ccccc1N1CCN(C(=S)Nc2cc(C)c(C)cc2OC)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
ATM Q13315 2/20 0.58
POLB P06746 1/20 0.52
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PHGDH O43175 1/20 0.51
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL6966867 0.89 KMT2A (0.67) KMT2AMEN1ATMPOLBALDH1A1
SCHEMBL6956652 0.87 KMT2A (0.61) KMT2AMEN1ATMPOLBALDH1A1
SCHEMBL6954139 0.86 PKM (0.62) KMT2AMEN1ATMPOLBALDH1A1
SCHEMBL6897289 0.85 KMT2A (0.44) KMT2AMEN1ATMALDH1A1LMNA
SCHEMBL6958288 0.84 KMT2A (0.78) KMT2AMEN1ATMPOLBALDH1A1
SCHEMBL6954912 0.84 KMT2A (0.58) KMT2AMEN1ATMPOLBALDH1A1
SCHEMBL6960069 0.84 KMT2A (0.61) KMT2AMEN1ATMPOLBALDH1A1
SCHEMBL6966620 0.83 KMT2A (0.60) KMT2AMEN1ATMPOLBALDH1A1
SCHEMBL6961415 0.83 KMT2A (0.57) KMT2AMEN1ATMPOLBALDH1A1
SCHEMBL6780561 0.83 MEN1 (0.73) KMT2AMEN1POLBALDH1A1CYP1A2

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 3862/4885ATM 4732/4885

“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.