Sugi Predict

Sugi Predict / Compounds / SCHEMBL2086889

SCHEMBL2086889

SCHEMBL2086889

C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ ALDH1A1 P00352 7/20 0.58
▸ GAA P10253 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ SIRT6 Q8N6T7 2/20 0.54
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ POLB P06746 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ ADRB1 P08588 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ HTT P42858 1/20 0.48

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
SCHEMBL5248996 1.00 MAPT (0.62) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL2086891 1.00 MAPT (0.62) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL2089200 1.00 MAPT (0.62) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL2089202 1.00 MAPT (0.62) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL5241777 0.93 POLB (0.63) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL5237724 0.93 MAPT (0.56) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL5241770 0.93 POLB (0.63) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL1647379 0.83 KMT2A (0.62) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL14241535 0.81 SIRT6 (0.53) MAPTRAB9AALDH1A1GAASIRT6
SCHEMBL6606878 0.81 MAPT (0.61) MAPTRAB9AALDH1A1SIRT6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026103887-A1 PROLINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 北京康辰药业股份有限公司 2026-05-21 — — WO disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 — — US disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 — — US disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 — — US disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 — — US disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 — — US disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 — — US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 — — US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 — — US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 — — US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 — — US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 — — US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 — — US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 — — US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 — — US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 — — US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 — — US disclosed
US-20070161615-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-12 — — US disclosed
CN-1738615-A Diaminotriazoles as inhibitors of protein kinases VERTEX PHARMA (US) 2006-02-22 — — CN disclosed
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-10-28 — — 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 (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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 MAPT 2115/4885RAB9A 2923/4885ALDH1A1 314/4885
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 MAPT 937/4885RAB9A 3309/4885ALDH1A1 3235/4885
US-20070161615-A1 Chemical compounds MKI67, PCNA, CCNI MAPT 3632/4885RAB9A 3109/4885ALDH1A1 320/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 MAPT 1986/4885RAB9A 2977/4885ALDH1A1 303/4885
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases MAP3K20, MAP3K1, MAP3K5 MAPT 937/4885RAB9A 3309/4885ALDH1A1 3235/4885

“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.