SCHEMBL4348178

SCHEMBL4348178

COc1c(C(=O)NCCSC)ccc2[nH]nc(-c3ccc4ccccc4c3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
KDR P35968 2/20 0.41
CDK4 P11802 1/20 0.41
CCNA2 P20248 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 1/20 0.41
CCND3 P30281 1/20 0.41
DRD3 P35462 2/20 0.39
DRD2 P14416 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39

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
SCHEMBL13635355 0.88 KDM4E (0.42) LMNAKDRCDK4CCNA2CCND1
SCHEMBL13198250 0.87 HDAC6 (0.50) LMNAKDRCDK4CCNA2CCND1
SCHEMBL4331810 0.86 KDR (0.42) LMNAKDRCDK4CCNA2CCND1
SCHEMBL2864362 0.84 GSK3B (0.44) KDRCDK4CCNA2CCND1CDK2
SCHEMBL4335936 0.84 BRD4 (0.47) KDRCDK4CCNA2CCND1CDK2
SCHEMBL4334565 0.83 LMNA (0.41) LMNADRD3DRD2MAPTMAPK1
SCHEMBL4334929 0.83 LMNA (0.41) LMNADRD3DRD2MAPTMAPK1
SCHEMBL2864594 0.82 KDR (0.47) KDRCDK4CCNA2CCND1CDK2
SCHEMBL4334496 0.82 MEN1 (0.41) KDRCDK4CCNA2CCND1CDK2
SCHEMBL4341067 0.82 RAB9A (0.46) LMNAMAPTMAPK1TP53MEN1

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-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 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-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 LMNA 1893/4885KDR 2411/4885CDK4 103/4885

“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.