SCHEMBL17322993

SCHEMBL17322993

C=C(c1ccc(C)cc1)N(CCCN)[C@@H](c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)C(C)C

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 15/20 0.84
MAP1LC3B Q9GZQ8 2/20 0.84
CYP3A4 P08684 1/20 0.84
CYP2C19 P33261 1/20 0.84
KCNH2 Q12809 1/20 0.84
KIF23 Q02241 1/20 0.56
PDE6D O43924 3/20 0.53

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
Ispinesib SCHEMBL15810599 0.92 KIF11 (1.00) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
Ispinesib SCHEMBL29375933 0.92 KIF11 (1.00) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
Ispinesib SCHEMBL3582165 0.92 KIF11 (1.00) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
Ispinesib SCHEMBL370194 0.92 KIF11 (1.00) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
Ispinesib SCHEMBL29711229 0.88 KIF11 (1.00) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
Ispinesib SCHEMBL2963210 0.88 KIF11 (1.00) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL6360968 0.85 KIF11 (0.87) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL6349230 0.85 KIF11 (0.87) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL14264772 0.84 KIF11 (0.87) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL6358669 0.84 KIF11 (1.00) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181744-A1 COMPOUND FOR PREVENTING OR TREATING LIPID METABOLISM-RELATED DISEASES FUDAN UNIVERSITY (CN) 2023-06-15 US disclosed
US-20150352114-A1 MITOTIC KINESIN Eg5 INHIBITING ANTICANCER AGENTS THE CLEVELAND CLINIC FOUNDATION 2015-12-10 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 (2 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-20230181744-A1 COMPOUND FOR PREVENTING OR TREATING LIPID METABOLISM-RELATED DISEASES MAP1LC3B, MAP1LC3A, SQSTM1 KIF11 1095/4885MAP1LC3B 1/4885CYP3A4 77/4885
US-20150352114-A1 MITOTIC KINESIN Eg5 INHIBITING ANTICANCER AGENTS KIF15, KIF5B, KIF18A KIF11 9/4885MAP1LC3B 180/4885CYP3A4 4685/4885

“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.