SCHEMBL433205

SCHEMBL433205

COC(=O)CNCC(C)(C)SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 1/20 0.39
▸ KIF11 P52732 5/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL433717 0.87 CYP2C19 (0.42) KCNN4KIF11CYP2C19HIF1ACYP3A4
SCHEMBL5698853 0.78 SIRT2 (0.39) KCNN4KIF11CYP2C19HIF1AMAPK1
SCHEMBL8352929 0.73 KIF11 (0.43) KIF11
SCHEMBL9168695 0.72 KIF11 (0.37) KIF11POLBALDH1A1LMNASMN1; SMN2
SCHEMBL5698864 0.72 SIGMAR1 (0.40) POLBALDH1A1LMNAKDM4E
SCHEMBL23502524 0.71 TET2 (0.41) ALDH1A1LMNAKDM4E
SCHEMBL9165257 0.70 DPP4 (0.49) KCNN4CYP2C19HIF1APOLBALDH1A1
SCHEMBL1364085 0.70 KIF11 (0.49) KCNN4KIF11POLBALDH1A1HPGD
SCHEMBL8761439 0.69 KDM1A (0.36) KCNN4KIF11ALDH1A1LMNASMN1; SMN2
SCHEMBL8629391 0.69 SIGMAR1 (0.46) KIF11POLBALDH1A1SMN1; SMN2KDM4E

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-20120065367-A1 Radioactively Labeled Substance NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2012-03-15 — — US disclosed
US-20120065367-A1 Radioactively Labeled Substance NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2012-03-15 — — 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-20120065367-A1 Radioactively Labeled Substance KIT, ABCG2, TK1 KCNN4 4250/4885KIF11 2671/4885CYP2C19 2093/4885

“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.

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