Sugi Predict

Sugi Predict / Compounds / SCHEMBL1654809

SCHEMBL1654809

SCHEMBL1654809

CCOC(=O)c1cc2c(C)ccc(N)c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.46
▸ KDM4E B2RXH2 6/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ HPGD P15428 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ CDK1 P06493 1/20 0.45
▸ CCNB1 P14635 1/20 0.45
▸ MMP13 P45452 5/20 0.45
▸ MMP2 P08253 3/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ GAA P10253 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ ALOX15 P16050 1/20 0.44
▸ TP53 P04637 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
SCHEMBL4042473 0.88 ALDH1A1 (0.50) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL7658260 0.86 CDK1 (0.52) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL7954122 0.84 ESR1 (0.47) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL3276933 0.83 ALOX15 (0.47) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL1654469 0.81 CDK1 (0.40) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL28844731 0.81 ALOX15 (0.45) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL1653140 0.79 FBP1 (0.49) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL30055809 0.78 HRH4 (0.53) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL21724772 0.78 HRH4 (0.53) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2
SCHEMBL7954080 0.78 KDM4E (0.43) ALDH1A1KDM4ERAB9AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957070-B2 Glucokinase activator compounds, methods of activating glucokinase and methods of treating diabetes and obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 — — US disclosed
EP-1873144-B1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-07-23 — — EP disclosed
US-8410087-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 — — US disclosed
EP-2508524-A2 Indole compound Takeda Pharmaceutical Company Limited (JP) 2012-10-10 — — EP disclosed
EP-2308839-A1 Fused heterocyclic compounds Takeda Pharmaceutical Company Limited (JP) 2011-04-13 — — EP disclosed
US-7777047-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-17 — — US disclosed
US-20100144702-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 — — US disclosed
US-20100137610-A1 Indole compound YASUMA TSUNEO 2010-06-03 — — US disclosed
US-7718798-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-18 — — US disclosed
US-7652133-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-26 — — US disclosed
US-20090286975-A1 Indole compound YASUMA TSUNEO 2009-11-19 — — US disclosed
US-20090247746-A1 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 — — US disclosed
EP-2074119-A1 INDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-07-01 — — EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 — — WO disclosed
US-20080096877-A1 Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-04-24 — — US disclosed
EP-1873144-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-01-02 — — EP 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 (5 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-20090247746-A1 Fused heterocyclic compound GCKR, GCK, GPR119 ALDH1A1 372/4885KDM4E 1299/4885RAB9A 2871/4885
US-20100144702-A1 INDOLE COMPOUND GCKR, GPR119, SLC5A1 ALDH1A1 376/4885KDM4E 1017/4885RAB9A 3121/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 ALDH1A1 376/4885KDM4E 1017/4885RAB9A 3121/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 ALDH1A1 376/4885KDM4E 1017/4885RAB9A 3121/4885
US-20080096877-A1 Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example GCKR, GCK, KHK ALDH1A1 296/4885KDM4E 1347/4885RAB9A 4362/4885

“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.