Sugi Predict

Sugi Predict / Compounds / SCHEMBL3757406

SCHEMBL3757406

SCHEMBL3757406

C1=NCCOc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 1/20 0.46
▸ ICAM1 P05362 1/20 0.46
▸ ITGAL P20701 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CRHBP P24387 2/20 0.41
▸ CRHR2 Q13324 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ TRPA1 O75762 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ NISCH Q9Y2I1 1/20 0.36
▸ KCNN4 O15554 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KEAP1 Q14145 1/20 0.31
▸ ALOX5 P09917 1/20 0.30

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
SCHEMBL29501154 1.00 ITGB2 (0.46) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL8182698 0.88 ITGB2 (0.43) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL441277 0.78 TRPA1 (0.42) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL28208020 0.77 TRPA1 (0.41) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL30094684 0.75 TRPA1 (0.39) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL18867853 0.73 TRPA1 (0.38) ITGB2ICAM1ITGALTRPA1ABCG2
SCHEMBL25247539 0.73 MAPT (0.35) SMN1; SMN2LMNAGAA
SCHEMBL30487410 0.73 MAPT (0.35) SMN1; SMN2LMNAGAA
SCHEMBL31470218 0.73 MAPT (0.42) SMN1; SMN2LMNAGAA
SCHEMBL31046971 0.73 LMNA (0.46) LMNAHTTGAAALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021094906-A1 NOVEL AGROCHEMICAL COMPOSITION COMPRISING 4-SUBSTITUTED PHENYLAMIDINE COMPOUNDS PI INDUSTRIES LTD. (IN) 2021-05-20 — — WO claimed
US-8962610-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-24 — — US claimed
EP-2726469-A1 OXAZEPINES AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2014-05-07 — — EP claimed
US-20130005706-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2013-01-03 — — US claimed
WO-2025122384-A1 METHODS AND COMPOSITIONS FOR PPO HERBICIDE TOLERANCE MONSANTO TECHNOLOGY LLC (US) 2025-06-12 — — WO disclosed
WO-2025087274-A1 AZABICYCLO DERIVATIVE AND PREPARATION METHOD THEREFOR, AND USE 浙江海正药业股份有限公司 2025-05-01 — — WO disclosed
US-20240368136-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-11-07 — — US disclosed
WO-2024178190-A2 METHODS AND COMPOSITIONS FOR PPO HERBICIDE TOLERANCE MONSANTO TECHNOLOGY LLC (US) 2024-08-29 — — WO disclosed
WO-2024167793-A1 METHODS AND COMPOSITIONS FOR PPO HERBICIDE TOLERANCE MONSANTO TECHNOLOGY LLC (US) 2024-08-15 — — WO disclosed
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 — — EP disclosed
US-11939321-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-03-26 — — US disclosed
WO-2024020316-A2 METHODS AND COMPOSITIONS FOR PPO HERBICIDE TOLERANCE MONSANTO TECHNOLOGY LLC (US) 2024-01-25 — — WO disclosed
EP-2726469-A1 OXAZEPINES AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2014-05-07 — — EP disclosed
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 — — US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 — — US disclosed
WO-2013157022-A1 SUBSTITUTED HETERO-BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LIMITED (IN) 2013-10-24 — — WO disclosed
WO-2013006463-A1 OXAZEPINES AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-01-10 — — WO disclosed
US-20130005706-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2013-01-03 — — US disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 — — US disclosed
EP-0726257-B1 1-(Hetero)Arylvinyl-5H-2,3-benzodiazepine derivatives useful for the treatment of central nervous system disorders, and benzopyrylium intermediates for their preparation EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2001-04-11 — — 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA ITGB2 4253/4885ICAM1 4689/4885ITGAL 4583/4885
US-11939321-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ITGB2 3311/4885ICAM1 1323/4885ITGAL 2812/4885
US-20130005706-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 ITGB2 4165/4885ICAM1 1332/4885ITGAL 4053/4885
US-20240368136-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 ITGB2 3326/4885ICAM1 1325/4885ITGAL 2820/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA ITGB2 4517/4885ICAM1 4715/4885ITGAL 4711/4885

“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.