Sugi Predict

Sugi Predict / Compounds / SCHEMBL1736253

SCHEMBL1736253

SCHEMBL1736253

CC(=O)Nc1cccc(OB(O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.55
▸ MTNR1B P49286 1/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ TSHR P16473 1/20 0.52
▸ GAA P10253 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ AHR P35869 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ NR4A1 P22736 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ CRHBP P24387 1/20 0.50

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
SCHEMBL27899109 0.85 RAB9A (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL9017604 0.84 TDP1 (0.59) RAB9ASMN1; SMN2NPC1ALDH1A1CYP1A2
SCHEMBL11103692 0.83 ALDH1A1 (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL8213812 0.81 MTNR1A (0.56) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL171425 0.81 MTNR1A (0.79) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL29875454 0.81 MTNR1A (0.79) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL13488649 0.81 MTNR1A (0.59) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL14338249 0.81 MTNR1B (0.69) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL29971935 0.80 SMN1; SMN2 (0.57) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL296754 0.80 HDAC3 (0.49) RAB9ASMN1; SMN2NPC1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111381458-B Photoresist cleaning solution 安集微电子科技（上海）股份有限公司 2024-04-30 — — CN claimed
CN-116916755-A Materials and methods for extending the shelf life of food products JP实验室公司 2023-10-20 — — CN claimed
CN-106636043-A Preparation method of protease 广州立白企业集团有限公司 2017-05-10 — — CN claimed
CN-111381458-B Photoresist cleaning solution 安集微电子科技（上海）股份有限公司 2024-04-30 — — CN disclosed
CN-117757092-A High-fluorescence COF composite material based on boric acid ester bond and preparation method thereof 广东药科大学 2024-03-26 — — CN disclosed
CN-116916755-A Materials and methods for extending the shelf life of food products JP实验室公司 2023-10-20 — — CN disclosed
CN-108342049-B Physical split-phase dynamic polymer and application thereof 厦门天策材料科技有限公司 2023-08-22 — — CN disclosed
EP-3227287-B1 HETEROARYL-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINES AND THEIR USE Bayer Pharma AG (DE) 2019-08-07 — — EP disclosed
US-10292970-B2 Heteroaryl-substituted imidazo[1,2-A]pyridines and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-21 — — US disclosed
US-10174021-B2 Substituted pyrazolo[1,5-A]pyridines and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-08 — — US disclosed
EP-3227286-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINES AND IMIDAZO[1,2-A]PYRAZINES AND THEIR USE Bayer Pharma AG (DE) 2018-12-26 — — EP disclosed
EP-1334106-B1 IMIDAZOLE DERIVATIVES, PRODUCTION METHOD THEREOF AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-24 — — EP disclosed
EP-1137641-B1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL CO (JP) 2004-11-10 — — EP disclosed
US-20040033935-A1 Novel imidazole derivatives, production method thereof and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 — — US disclosed
EP-1334106-A2 NOVEL IMIDAZOLE DERIVATIVES, PRODUCTION METHOD THEREOF AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-08-13 — — EP disclosed
US-6500951-B1 RING CLOSING A CARBOXYLIC ACID DERIVATIVE IN PRESENCE OF A NITROGEN CONTAINING AROMATIC COMPOUND AND A BORON COMPOUND; HIGH YIELD AND PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-31 — — US disclosed
WO-2002040484-A2 NOVEL IMIDAZOLE DERIVATIVES, PRODUCTION METHOD THEREOF AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-23 — — WO disclosed
EP-1137641-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-04 — — EP disclosed
WO-2000034249-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-15 — — WO disclosed
US-5877190-A PHOSPHODIESTERASE INHIBITOR ADIR ET COMPAGNIE (FR) 1999-03-02 — — 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 (3 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-20040033935-A1 Novel imidazole derivatives, production method thereof and use thereof CYP17A1, CYP21A2, CYP19A1 MTNR1A 1181/4885MTNR1B 1056/4885RAB9A 4138/4885
US-10174021-B2 Substituted pyrazolo[1,5-A]pyridines and their use PNPO, PDXK, XDH MTNR1A 275/4885MTNR1B 436/4885RAB9A 2575/4885
US-10292970-B2 Heteroaryl-substituted imidazo[1,2-A]pyridines and their use TNNI3, CYP11B2, PPIP5K2 MTNR1A 105/4885MTNR1B 209/4885RAB9A 3136/4885

“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.