SCHEMBL6560562

SCHEMBL6560562

COc1nc(C)c(C)nc1NC(=S)N1CCN(c2ccsc2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PHGDH O43175 5/20 0.41
MAPT P10636 4/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL6562908 0.89 PHGDH (0.45) LMNAALDH1A1SMN1; SMN2PHGDHMAPT
SCHEMBL6559720 0.87 MAPT (0.39) LMNAALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL6657804 0.81 SMN1; SMN2 (0.46) LMNAALDH1A1SMN1; SMN2PHGDHMAPT
SCHEMBL6657915 0.80 SMN1; SMN2 (0.52) LMNAALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL6561276 0.80 KMT2A (0.52) LMNAALDH1A1SMN1; SMN2PHGDHKMT2A
SCHEMBL6560550 0.79 PHGDH (0.47) ALDH1A1PHGDHMAPTRECQLKMT2A
SCHEMBL6559736 0.79 PHGDH (0.62) LMNAALDH1A1PHGDHKMT2AMEN1
SCHEMBL6560754 0.77 PHGDH (0.58) LMNAALDH1A1PHGDHKMT2AMEN1
SCHEMBL6560843 0.77 MAPT (0.42) LMNAALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL6559686 0.76 PHGDH (0.57) LMNAALDH1A1SMN1; SMN2PHGDHKMT2A

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 LMNA 3343/4885ALDH1A1 58/4885SMN1; SMN2 2466/4885

“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.