SCHEMBL5113904

SCHEMBL5113904

COC(=O)c1ccc(CCSc2ccc3c(c2)/C(=N\NC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N3CCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NTRK1 P04629 2/20 0.39
▸ NTRK2 Q16620 2/20 0.39
▸ PDE6D O43924 1/20 0.36
▸ MAPT P10636 6/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CCKBR P32239 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ IDH1 O75874 1/20 0.36
▸ PARK7 Q99497 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KCNJ6 P48051 1/20 0.36
▸ KCNJ5 P48544 1/20 0.36
▸ KCNJ3 P48549 1/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.35
▸ UBE2M P61081 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
SCHEMBL14287336 1.00 LMNA (0.42) LMNASMN1; SMN2NTRK1NTRK2PDE6D
SCHEMBL5113911 1.00 LMNA (0.42) LMNASMN1; SMN2NTRK1NTRK2PDE6D
SCHEMBL14287335 0.91 MAPT (0.42) SMN1; SMN2PDE6DMAPTMEN1KMT2A
SCHEMBL5117655 0.91 MAPT (0.42) SMN1; SMN2PDE6DMAPTMEN1KMT2A
SCHEMBL5117649 0.91 MAPT (0.42) SMN1; SMN2PDE6DMAPTMEN1KMT2A
SCHEMBL5111479 0.89 CCKBR (0.43) LMNASMN1; SMN2NTRK1NTRK2PDE6D
SCHEMBL5111480 0.89 CCKBR (0.43) LMNASMN1; SMN2NTRK1NTRK2PDE6D
SCHEMBL14287341 0.89 MRGPRX4 (0.36) LMNAMAPTPARK7TP53
SCHEMBL5123434 0.89 MRGPRX4 (0.36) LMNAMAPTPARK7TP53
SCHEMBL5123438 0.89 MRGPRX4 (0.36) LMNAMAPTPARK7TP53

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-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 — — US claimed
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 — — 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-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA LMNA 3355/4885SMN1; SMN2 4795/4885NTRK1 3393/4885

“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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