SCHEMBL29327852

SCHEMBL29327852

CCc1ccc(-c2nc3ccc(NC(=O)c4cc(C#N)cnc4S(C)(=O)=O)cc3[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ NR2E3 Q9Y5X4 7/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KDR P35968 2/20 0.45
▸ MET P08581 1/20 0.45
▸ PPARG P37231 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ VCP P55072 1/20 0.43
▸ CHEK2 O96017 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ BAZ1A Q9NRL2 1/20 0.43

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
SCHEMBL29328000 0.83 MAPT (0.49) HDAC6NPC1RAB9AKMT2APPARG
SCHEMBL29327715 0.82 PPARG (0.47) HDAC3HDAC1HDAC8HDAC6NR2E3
SCHEMBL29327844 0.82 PPARG (0.60) NPC1RAB9AKMT2APPARGMAPT
SCHEMBL29327997 0.81 HDAC6 (0.47) HDAC6NPC1RAB9AKMT2APPARG
SCHEMBL29327987 0.81 PPARG (0.44) NPC1RAB9AKMT2AKDRPPARG
SCHEMBL29327992 0.81 PPARG (0.44) NPC1RAB9AKMT2AKDRPPARG
SCHEMBL29327818 0.80 PPARG (0.70) NPC1RAB9APPARGMAPTTP53
SCHEMBL29327855 0.80 PPARG (0.54) NPC1RAB9APPARGMAPTTP53
SCHEMBL29327994 0.76 PDE10A (0.42) NPC1RAB9AKMT2APPARGTP53
SCHEMBL29327990 0.75 PPARG (0.39) NPC1RAB9AKMT2APPARGMAPT

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-20240239760-A1 PPARG INVERSE AGONISTS AND USES THEREOF FLARE THERAPEUTICS INC. 2024-07-18 — — US disclosed
US-20240239760-A1 PPARG INVERSE AGONISTS AND USES THEREOF FLARE THERAPEUTICS INC. 2024-07-18 — — 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-20240239760-A1 PPARG INVERSE AGONISTS AND USES THEREOF PPARG, PPARA, PPARD HDAC3 408/4885HDAC1 1077/4885HDAC8 893/4885

“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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