Sugi Predict

Sugi Predict / Compounds / SCHEMBL10242831

SCHEMBL10242831

SCHEMBL10242831

COCc1nn(-c2cccc(OC)c2)cc1C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SLC6A9 P48067 1/20 0.37
▸ GCG P01275 4/20 0.35
▸ CTSS P25774 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GCGR P47871 2/20 0.35
▸ NTSR1 P30989 1/20 0.34
▸ RCE1 Q9Y256 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GLP1R P43220 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
SCHEMBL3399863 0.94 KMT2A (0.38) MEN1KMT2AALDH1A1MAPK1SLC6A9
SCHEMBL721415 0.93 SLC6A9 (0.41) MEN1KMT2ASLC6A9GCGCTSS
SCHEMBL718930 0.93 GCG (0.39) SLC6A9GCGGCGRRCE1GLP1R
SCHEMBL14905742 0.92 MAPT (0.36) MEN1KMT2AALDH1A1MAPK1SLC6A9
SCHEMBL720391 0.91 GCG (0.40) MEN1KMT2AALDH1A1MAPK1SLC6A9
SCHEMBL3403967 0.90 MEN1 (0.39) MEN1KMT2AALDH1A1MAPK1SLC6A9
SCHEMBL721158 0.89 GCG (0.39) MEN1KMT2AALDH1A1MAPK1GCG
SCHEMBL27946275 0.88 GCG (0.38) MEN1KMT2AALDH1A1SLC6A9GCG
SCHEMBL718125 0.87 GCGR (0.43) MEN1KMT2ASLC6A9GCGGCGR
SCHEMBL720989 0.87 MAPT (0.37) MEN1KMT2AALDH1A1MAPK1SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 — — US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 — — US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 — — US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 — — US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 — — US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 — — US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 — — 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MEN1 444/4885KMT2A 1298/4885ALDH1A1 504/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MEN1 444/4885KMT2A 1298/4885ALDH1A1 504/4885

“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.