SCHEMBL13236128

SCHEMBL13236128

CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2O)SC1=S

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.53
▸ ALDH1A1 P00352 7/20 0.52
▸ MEN1 O00255 7/20 0.52
▸ KMT2A Q03164 7/20 0.52
▸ MAPT P10636 4/20 0.52
▸ TNNI3 P19429 2/20 0.52
▸ TNNT2 P45379 2/20 0.52
▸ TNNC1 P63316 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ IDE P14735 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ CYBB P04839 2/20 0.51
▸ NOX4 Q9NPH5 2/20 0.51
▸ SRC P12931 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45

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
SCHEMBL13779295 0.84 PDE4B (0.58) PDE4BALDH1A1MEN1KMT2AMAPT
SCHEMBL12110587 0.81 DNM1 (0.61) PDE4BALDH1A1MEN1KMT2AMAPT
SCHEMBL6879860 0.79 MAP3K5 (0.51) ALDH1A1MEN1KMT2AMAPTTNNI3
SCHEMBL6879856 0.79 MAP3K5 (0.51) ALDH1A1MEN1KMT2AMAPTTNNI3
SCHEMBL13726902 0.75 PDE4B (0.58) PDE4BALDH1A1MEN1KMT2AMAPT
SCHEMBL13726901 0.75 PDE4B (0.58) PDE4BALDH1A1MEN1KMT2AMAPT
SCHEMBL18103095 0.75 MEN1 (0.72) PDE4BALDH1A1MEN1KMT2AMAPT
SCHEMBL12655513 0.74 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTTNNI3
SCHEMBL14777217 0.73 PDE4B (0.76) PDE4BALDH1A1MEN1KMT2AMAPT
SCHEMBL14777216 0.73 PDE4B (0.76) PDE4BALDH1A1MEN1KMT2AMAPT

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-20100190832-A1 Mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and structural templates NATIONAL INSTITUTE OF IMMUNOLOGY. 2010-07-29 — — US disclosed
US-20100190832-A1 Mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and structural templates NATIONAL INSTITUTE OF IMMUNOLOGY. 2010-07-29 — — 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-20100190832-A1 Mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and structural templates TTR, TPR, POT1 PDE4B 4660/4885ALDH1A1 2468/4885MEN1 3323/4885

“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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