SCHEMBL6560837

SCHEMBL6560837

COc1nc2ccccc2nc1NC(=O)N1CCN(c2ccccc2SC)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
FAAH O00519 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 4/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
STAT3 P40763 1/20 0.42
HTR1A P08908 3/20 0.41
HTR1D P28221 3/20 0.41
HTR1B P28222 3/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR7 P34969 2/20 0.41
HTR6 P50406 2/20 0.41
RBP4 P02753 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL7804720 0.92 KMT2A (0.41) KMT2AMEN1CYP2C19HTTFAAH
SCHEMBL6559708 0.90 KMT2A (0.46) KMT2AMEN1CYP2C19HTTFAAH
SCHEMBL6562758 0.89 MAPT (0.44) KMT2AMEN1CYP2C19HTTL3MBTL1
SCHEMBL6562891 0.88 PHGDH (0.45) KMT2AMEN1CYP2C19MAPTALDH1A1
SCHEMBL6559689 0.86 MAPT (0.57) CYP2C19HTTMAPTRAB9AALDH1A1
SCHEMBL6560480 0.85 KMT2A (0.60) KMT2AMEN1HTTFAAHL3MBTL1
SCHEMBL6560430 0.85 KMT2A (0.44) KMT2AMEN1L3MBTL1MAPTRAB9A
SCHEMBL7139727 0.85 RBP4 (0.46) KMT2AMEN1CYP2C19HTTFAAH
SCHEMBL6562100 0.83 TRPV1 (0.44) KMT2AMEN1CYP2C19L3MBTL1MAPT
SCHEMBL3442752 0.82 ALDH1A1 (0.53) KMT2AMEN1CYP2C19HTTL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1075469-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2004-05-26 EP disclosed
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 3862/4885CYP2C19 1186/4885

“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.