SCHEMBL6561276

SCHEMBL6561276

CCc1ccccc1N1CCN(C(=S)Nc2nc(C)c(C)nc2OC)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
ATM Q13315 2/20 0.52
PHGDH O43175 4/20 0.48
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL6561321 0.89 KMT2A (0.52) KMT2AATMPHGDHMEN1ALDH1A1
SCHEMBL6560465 0.88 MAPT (0.46) KMT2AATMMEN1ALDH1A1PKM
SCHEMBL6653829 0.85 KMT2A (0.55) KMT2AATMPHGDHMEN1ALDH1A1
SCHEMBL6560550 0.84 PHGDH (0.47) KMT2AATMPHGDHMEN1ALDH1A1
SCHEMBL7803116 0.83 KMT2A (0.46) KMT2AATMPHGDHALDH1A1CYP1A2
SCHEMBL6560562 0.80 LMNA (0.42) KMT2AATMPHGDHMEN1ALDH1A1
SCHEMBL6652670 0.79 PHGDH (0.58) KMT2AATMPHGDHMEN1ALDH1A1
SCHEMBL8701044 0.78 KMT2A (0.65) KMT2AATMPHGDHMEN1ALDH1A1
SCHEMBL6559736 0.78 PHGDH (0.62) KMT2APHGDHMEN1ALDH1A1CYP1A2
SCHEMBL6560430 0.77 KMT2A (0.44) KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100354271-C Piperazine derivatives and process for the preparation thereof SAMJIN PHARM CO LTD (KR) 2007-12-12 CN disclosed
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 2664/4885ATM 4732/4885PHGDH 2923/4885

“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.