Sugi Predict

Sugi Predict / Compounds / SCHEMBL18345385

SCHEMBL18345385

SCHEMBL18345385

CC(=O)N(O)C1(c2ccccc2)C(=O)NN=C1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ MMP9 P14780 2/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ADAM17 P78536 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ KMT2A Q03164 2/20 0.30
▸ BACE1 P56817 1/20 0.30
▸ BACE2 Q9Y5Z0 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ BLM P54132 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
SCHEMBL18345419 0.86 MMP9 (0.35) OPRM1MMP9MMP2POLBMMP8
SCHEMBL18345447 0.74 BACE1 (0.40) OPRM1OPRL1POLBALDH1A1KMT2A
SCHEMBL18345390 0.71 SMN1; SMN2 (0.48) POLBALDH1A1GAAMAPTKMT2A
SCHEMBL15974697 0.68 MMP2 (0.53) MMP9MMP2POLBMMP8ALDH1A1
SCHEMBL17290225 0.67 BACE1 (0.37) MMP9MMP2POLBALDH1A1MAPT
SCHEMBL18345386 0.61 BACE1 (0.35) OPRM1OPRL1ALDH1A1KMT2ABACE1
SCHEMBL18345424 0.61 BACE1 (0.35) OPRM1OPRL1ALDH1A1KMT2ABACE1
SCHEMBL13495126 0.61 MMP9 (0.43) MMP9MMP2MMP8ELANEALDH1A1
SCHEMBL10867633 0.58 BACE1 (0.37) OPRM1OPRL1MMP9MMP2POLB
Phenytoin SCHEMBL21858443 0.55 CYP2C9 (0.81) MMP9MMP2POLBMMP8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922371-B N-substituted hydroxamic acids with carbon-based leaving groups as efficient HNO donors and uses thereof 约翰斯霍普金斯大学 2022-04-19 — — CN claimed
EP-3313831-B1 N-SUBSTITUTED HYDROXAMIC ACIDS WITH CARBON-BASED LEAVING GROUPS AS EFFICIENT HNO DONORS AND USES THEREOF UNIV JOHNS HOPKINS (US) 2021-03-10 — — EP claimed
US-10583141-B2 N-substituted hydroxamic acids with carbon-based leaving groups as efficient HNO donors and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2020-03-10 — — US claimed
US-20180185367-A1 N-SUBSTITUTED HYDROXAMIC ACIDS WITH CARBON-BASED LEAVING GROUPS AS EFFICIENT HNO DONORS AND USES THEREOF NATIONAL SCIENCE FOUNDATION 2018-07-05 — — US claimed
EP-3313831-A1 N-SUBSTITUTED HYDROXAMIC ACIDS WITH CARBON-BASED LEAVING GROUPS AS EFFICIENT HNO DONORS AND USES THEREOF The Johns Hopkins University (US) 2018-05-02 — — EP claimed
WO-2016210392-A1 N-SUBSTITUTED HYDROXAMIC ACIDS WITH CARBON-BASED LEAVING GROUPS AS EFFICIENT HNO DONORS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2016-12-29 — — WO claimed
CN-107922371-B N-substituted hydroxamic acids with carbon-based leaving groups as efficient HNO donors and uses thereof 约翰斯霍普金斯大学 2022-04-19 — — CN disclosed
EP-3313831-B1 N-SUBSTITUTED HYDROXAMIC ACIDS WITH CARBON-BASED LEAVING GROUPS AS EFFICIENT HNO DONORS AND USES THEREOF UNIV JOHNS HOPKINS (US) 2021-03-10 — — EP disclosed
EP-3313831-B1 N-SUBSTITUTED HYDROXAMIC ACIDS WITH CARBON-BASED LEAVING GROUPS AS EFFICIENT HNO DONORS AND USES THEREOF UNIV JOHNS HOPKINS (US) 2021-03-10 — — EP disclosed
US-10583141-B2 N-substituted hydroxamic acids with carbon-based leaving groups as efficient HNO donors and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2020-03-10 — — US disclosed
US-20180185367-A1 N-SUBSTITUTED HYDROXAMIC ACIDS WITH CARBON-BASED LEAVING GROUPS AS EFFICIENT HNO DONORS AND USES THEREOF NATIONAL SCIENCE FOUNDATION 2018-07-05 — — US disclosed
US-20180185367-A1 N-SUBSTITUTED HYDROXAMIC ACIDS WITH CARBON-BASED LEAVING GROUPS AS EFFICIENT HNO DONORS AND USES THEREOF NATIONAL SCIENCE FOUNDATION 2018-07-05 — — US disclosed
US-20180185367-A1 N-SUBSTITUTED HYDROXAMIC ACIDS WITH CARBON-BASED LEAVING GROUPS AS EFFICIENT HNO DONORS AND USES THEREOF NATIONAL SCIENCE FOUNDATION 2018-07-05 — — US disclosed
EP-3313831-A1 N-SUBSTITUTED HYDROXAMIC ACIDS WITH CARBON-BASED LEAVING GROUPS AS EFFICIENT HNO DONORS AND USES THEREOF The Johns Hopkins University (US) 2018-05-02 — — EP disclosed
WO-2016210392-A1 N-SUBSTITUTED HYDROXAMIC ACIDS WITH CARBON-BASED LEAVING GROUPS AS EFFICIENT HNO DONORS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2016-12-29 — — 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-20180185367-A1 N-SUBSTITUTED HYDROXAMIC ACIDS WITH CARBON-BASED LEAVING GROUPS AS EFFICIENT HNO DONORS AND USES THEREOF HAAO, HAO2, HNMT OPRM1 1122/4885OPRL1 917/4885MMP9 1289/4885
US-10583141-B2 N-substituted hydroxamic acids with carbon-based leaving groups as efficient HNO donors and uses thereof HAAO, HAO2, HNMT OPRM1 1122/4885OPRL1 917/4885MMP9 1289/4885

“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.