SCHEMBL6651629

SCHEMBL6651629

COC(=O)c1cc(NC(=S)N2CCN(c3cc(OC)cc(OC)c3)CC2)c(OC)nc1C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
GAA P10253 2/20 0.57
PHGDH O43175 5/20 0.55
CYP3A4 P08684 4/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 1/20 0.51
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL6960739 0.92 PHGDH (0.55) MAPTSMN1; SMN2GAAPHGDHCYP3A4
SCHEMBL6651041 0.91 MAPT (0.52) MAPTSMN1; SMN2GAAPHGDHCYP3A4
SCHEMBL6654844 0.90 MAPT (0.67) MAPTSMN1; SMN2GAACYP3A4CYP2C19
SCHEMBL6653788 0.90 MAPT (0.57) MAPTSMN1; SMN2GAAPHGDHCYP3A4
SCHEMBL6651186 0.89 MAPT (0.53) MAPTSMN1; SMN2GAAPHGDHCYP3A4
SCHEMBL6650847 0.87 MAPT (0.54) MAPTSMN1; SMN2GAAPHGDHCYP3A4
SCHEMBL6654161 0.86 PHGDH (0.60) PHGDHCYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL6679165 0.86 KMT2A (0.42) MAPTSMN1; SMN2GAAPHGDHCYP3A4
SCHEMBL6653052 0.85 PHGDH (0.56) MAPTSMN1; SMN2GAAPHGDHCYP3A4
SCHEMBL6653379 0.83 PHGDH (0.57) MAPTSMN1; SMN2GAAPHGDHCYP3A4

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-1424072-A1 N'-(pyridin-3-yl)-(4-phenylpiperazin-1-yl)-carboxyimidamide and -iminothiolate derivatives for the treatment of tumors Samjin Pharmaceutical Co., Ltd. (KR) 2004-06-02 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 MAPT 4877/4885SMN1; SMN2 2466/4885GAA 4142/4885

“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.