SCHEMBL6654532

SCHEMBL6654532

CCc1nc(OC)c(NC(=S)N2CCN(c3ccc(C)cc3)CC2)cc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 3/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PHGDH O43175 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
SCHEMBL6651807 0.92 MAPT (0.48) MAPTSMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL27534253 0.91 MAPT (0.52) MAPTSMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL6650847 0.90 MAPT (0.54) MAPTSMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL6653788 0.89 MAPT (0.57) MAPTSMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL6652000 0.88 KDM4E (0.50) MAPTSMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL6674884 0.87 GFER (0.40) MAPTSMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL6650199 0.87 ALDH1A1 (0.51) MAPTSMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL7039443 0.85 MAPT (0.40) MAPTSMN1; SMN2GAAKDM4ECYP2C19
SCHEMBL6651711 0.85 ALDH1A1 (0.52) MAPTSMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL6649606 0.84 SMN1; SMN2 (0.49) MAPTSMN1; SMN2GAAKDM4EALDH1A1

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.