Sugi Predict

Sugi Predict / Compounds / SCHEMBL3940932

SCHEMBL3940932

SCHEMBL3940932

CC(C)(C)OC(=O)NC1CCC(CCNC(=O)OCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ TSHR P16473 1/20 0.53
▸ DRD2 P14416 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KDM1A O60341 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ SYK P43405 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ EPHX1 P07099 1/20 0.47
▸ KLK7 P49862 2/20 0.47
▸ KLK5 Q9Y337 2/20 0.47
▸ HTT P42858 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ KEAP1 Q14145 1/20 0.45
▸ NFE2L2 Q16236 1/20 0.45

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
SCHEMBL3940938 1.00 ALDH1A1 (0.55) ALDH1A1GAAKMT2AMEN1TSHR
SCHEMBL7209388 0.90 ALDH1A1 (0.56) ALDH1A1GAAKMT2AMEN1TSHR
SCHEMBL3946595 0.90 ALDH1A1 (0.56) ALDH1A1GAAKMT2AMEN1TSHR
SCHEMBL3946631 0.90 ALDH1A1 (0.56) ALDH1A1GAAKMT2AMEN1TSHR
SCHEMBL6617894 0.89 KMT2A (0.54) ALDH1A1GAAKMT2AMEN1TSHR
SCHEMBL3944460 0.88 ALDH1A1 (0.69) ALDH1A1GAAKMT2AMEN1TSHR
SCHEMBL6153463 0.88 ALDH1A1 (0.69) ALDH1A1GAAKMT2AMEN1TSHR
SCHEMBL3944464 0.88 ALDH1A1 (0.69) ALDH1A1GAAKMT2AMEN1TSHR
SCHEMBL6642475 0.86 KMT2A (0.52) ALDH1A1GAAKMT2AMEN1TSHR
SCHEMBL6642481 0.86 KMT2A (0.52) ALDH1A1GAAKMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113302184-B 1,3, 4-Oxadiazolinone compounds and medicaments 日本新药株式会社 2024-11-22 — — CN disclosed
US-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2022-01-27 — — US disclosed
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 — — US disclosed
EP-1432693-A2 MCH RECEPTOR ANTAGONISTS Taisho Pharmaceutical Co. Ltd. (JP) 2004-06-30 — — EP disclosed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 — — WO 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-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL PIM1, PIM3, PIM2 ALDH1A1 274/4885GAA 752/4885KMT2A 3641/4885
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide MCHR1, MCHR2, MC4R ALDH1A1 1616/4885GAA 1060/4885KMT2A 633/4885

“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.