SCHEMBL29327968

SCHEMBL29327968

CCc1ccc(-c2cc3cc(NC(=O)c4cc(C#N)ncc4S(C)(=O)=O)ccn3n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.37
▸ HPGD P15428 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ TP53 P04637 5/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.37
▸ RAB9A P51151 5/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ KLF5 Q13887 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ MAPK13 O15264 1/20 0.35
▸ LIMK1 P53667 1/20 0.35
▸ MARK2 Q7KZI7 1/20 0.35
▸ PPARG P37231 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ GAA P10253 1/20 0.34
▸ ATR Q13535 1/20 0.34

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
SCHEMBL29327874 0.87 PPARG (0.44) NPC1HPGDMEN1KMT2AALDH1A1
SCHEMBL29327942 0.84 TP53 (0.37) NPC1HPGDMEN1KMT2AALDH1A1
SCHEMBL29327990 0.84 PPARG (0.39) NPC1HPGDMEN1KMT2AALDH1A1
SCHEMBL29327967 0.81 NPC1 (0.40) NPC1HPGDMEN1KMT2AALDH1A1
SCHEMBL29327971 0.81 NPC1 (0.40) NPC1HPGDMEN1KMT2AALDH1A1
SCHEMBL29327904 0.81 TP53 (0.43) NPC1HPGDMEN1KMT2AALDH1A1
SCHEMBL29327974 0.78 PDE10A (0.42) NPC1HPGDMEN1KMT2AALDH1A1
SCHEMBL29327978 0.78 HDAC6 (0.47) NPC1HPGDMEN1KMT2AALDH1A1
SCHEMBL29327781 0.76 PPARG (0.54) NPC1HPGDMEN1KMT2AALDH1A1
SCHEMBL29327980 0.76 MAPT (0.53) NPC1HPGDMEN1KMT2AALDH1A1

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 NPC1 695/4885HPGD 320/4885MEN1 4630/4885

“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.

Send feedback