Sugi Predict

Sugi Predict / Compounds / SCHEMBL3523729

SCHEMBL3523729

SCHEMBL3523729

COC(=O)[C@@H](C)OCC#Cc1cc(Cl)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ OGG1 O15527 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ PGK1 P00558 1/20 0.33

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
SCHEMBL3524927 0.89 MAOB (0.36) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL3528030 0.89 MAOB (0.36) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL3522529 0.76 ABL1 (0.39) ABL1MEN1KMT2ALMNAALDH1A1
SCHEMBL3527600 0.74 MAPT (0.43) ABL1MEN1KMT2AL3MBTL1PTGDR2
SCHEMBL3528298 0.72 MAPT (0.47) ABL1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3521667 0.72 POLB (0.38) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL3527495 0.72 MAPT (0.46) ABL1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL1138907 0.67 ABL1 (0.49) ABL1MEN1KMT2ALMNAALDH1A1
SCHEMBL28967097 0.66 SMN1; SMN2 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL5821814 0.66 PPARA (0.46) ALDH1A1HPGDKDM4EMAPTGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436040-B2 Method of treating conditions involving PPAR-receptors with indole compounds LABORATOIRES FOURNIER S.A. (FR) 2013-05-07 — — US disclosed
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds LABORATORIES FOURNIER S.A. (FR) 2010-11-11 — — US disclosed
US-7795297-B2 Indole compounds, method of preparing them and uses thereof LABORATORIES FOURNIER S.A. (FR) 2010-09-14 — — US disclosed
US-20080153816-A1 Indole Compounds, Method of Preparing Them and Uses Thereof LABORATOIRES FOURNIER S.A. (FR) 2008-06-26 — — 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 (2 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-20080153816-A1 Indole Compounds, Method of Preparing Them and Uses Thereof LIPG, GPR119, IAPP ABL1 1317/4885MEN1 2711/4885KMT2A 2305/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG ABL1 2952/4885MEN1 4787/4885KMT2A 2990/4885

“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.