Sugi Predict

Sugi Predict / Compounds / SCHEMBL380709

SCHEMBL380709

SCHEMBL380709

CN(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ GAA P10253 2/20 0.50
▸ MAPT P10636 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ PAX8 Q06710 1/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PHLPP2 Q6ZVD8 1/20 0.44
▸ ATM Q13315 2/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41

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
SCHEMBL6916032 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL8018111 0.85 PAX8 (0.55) SMN1; SMN2GAAMAPTLMNAPAX8
SCHEMBL1954194 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL3010109 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL29868333 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL3913255 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL1854417 0.82 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2GAAMAPTMAPK1
SCHEMBL5285266 0.82 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL27792480 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL1290555 0.82 HSPB1 (0.54) ALDH1A1SMN1; SMN2GAAMAPTLMNA

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118541378-A Novel auristatin analogues and immunoconjugates thereof 艾德森特克斯治疗股份有限公司 2024-08-23 — — CN disclosed
EP-4245749-A1 NOVEL AMINOAROMATIC COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASES COMPRISING SAME AS ACTIVE INGREDIENT Institute for Basic Science (KR) 2023-09-20 — — EP disclosed
US-10662195-B2 Protein kinase conjugates and inhibitors CELGENE CAR LLC (BM) 2020-05-26 — — US disclosed
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors CELGENE CAR LLC (BM) 2017-06-22 — — US disclosed
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors CELGENE CAR LLC (BM) 2017-06-22 — — US disclosed
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors CELGENE CAR LLC (BM) 2017-06-22 — — US disclosed
EP-3147285-A2 PURINONE COMPOUNDS AS KINASE INHIBITORS Pharmacyclics, Inc. (US) 2017-03-29 — — EP disclosed
US-9556426-B2 Protein kinase conjugates and inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-31 — — US disclosed
US-9556426-B2 Protein kinase conjugates and inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-31 — — US disclosed
US-9556426-B2 Protein kinase conjugates and inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-31 — — US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 — — US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 — — US disclosed
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 — — US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 — — EP disclosed
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors AVILA THERAPEUTICS, INC. (US) 2011-05-19 — — US disclosed
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors AVILA THERAPEUTICS, INC. (US) 2011-05-19 — — US disclosed
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors AVILA THERAPEUTICS, INC. (US) 2011-05-19 — — US disclosed
WO-2011034907-A2 PROTEIN KINASE CONJUGATES AND INHIBITORS AVILA THERAPEUTICS, INC. (US) 2011-03-24 — — WO disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 — — WO disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 — — 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 (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-20170174691-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, ADK, TTK ALDH1A1 2717/4885SMN1; SMN2 4778/4885GAA 2854/4885
US-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 ALDH1A1 2036/4885SMN1; SMN2 1907/4885GAA 3182/4885
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES ITGA1, ITGB1, ITGA2B ALDH1A1 838/4885SMN1; SMN2 3298/4885GAA 4118/4885
US-10662195-B2 Protein kinase conjugates and inhibitors MAP3K20, ADK, TTK ALDH1A1 2717/4885SMN1; SMN2 4778/4885GAA 2854/4885
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, PACSIN2, MAP3K9 ALDH1A1 2862/4885SMN1; SMN2 4750/4885GAA 2551/4885

“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.