Sugi Predict

Sugi Predict / Compounds / SCHEMBL1430802

SCHEMBL1430802

SCHEMBL1430802

CC(=O)Nc1cc(C)no1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ GLA P06280 2/20 0.54
▸ PKM P14618 1/20 0.53
▸ EPHX2 P34913 1/20 0.51
▸ CA2 P00918 4/20 0.48
▸ CA7 P43166 3/20 0.48
▸ HTR2C P28335 2/20 0.48
▸ CA1 P00915 2/20 0.48
▸ CA4 P22748 2/20 0.48
▸ HCAR2 Q8TDS4 1/20 0.47
▸ ATF1 P18846 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ VHL P40337 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA2B P29275 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ POLB P06746 1/20 0.42

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
SCHEMBL1896996 0.86 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2GLAPKMEPHX2
SCHEMBL19987400 0.82 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2GLAPKMEPHX2
SCHEMBL11775192 0.82 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2GLAPKMEPHX2
SCHEMBL15000477 0.81 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2GLAPKMEPHX2
SCHEMBL22885243 0.81 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2GLAPKMEPHX2
SCHEMBL18236187 0.81 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2GLAPKMEPHX2
SCHEMBL17833337 0.79 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2GLAPKMEPHX2
SCHEMBL3526214 0.79 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GLAPKMEPHX2
SCHEMBL27803189 0.78 CA2 (0.51) ALDH1A1SMN1; SMN2GLAPKMCA2
SCHEMBL6431541 0.78 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2GLAPKMEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024010963-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF TYK2/JAK1, COMPOSITION AND APPLICATION THEREOF ACCRO BIOSCIENCE (HK) LIMITED (CN) 2024-01-11 — — WO disclosed
US-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 — — US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 — — US disclosed
US-11339177-B2 Heteroaryl compounds as inhibitors of necrosis, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2022-05-24 — — US disclosed
EP-3642193-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS AND RELATED COMPOSITION ZHANG XIAOHU (CN) 2022-04-27 — — EP disclosed
US-20210155635-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE (HK) LIMITED (HK) 2021-05-27 — — US disclosed
WO-2020146858-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE INC. (KY) 2020-07-16 — — WO disclosed
US-10167254-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-01 — — US disclosed
EP-2881394-B1 CONDENSED RING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 — — EP disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 — — US disclosed
US-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 — — US disclosed
US-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 — — US disclosed
EP-2300464-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2011-03-30 — — EP disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 — — US disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 — — US disclosed
WO-2009138707-A9 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-01-28 — — WO disclosed
WO-2009138707-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2009-11-19 — — WO disclosed
EP-2094694-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2009-09-02 — — EP disclosed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 — — WO disclosed
WO-2008059245-A1 QUINICLIDINE DERIVATIVES OF (HETERO) ARYLCYCLOHEPTANECARBOXYLIC ACID AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-05-22 — — 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 (6 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-10167254-B2 IDO inhibitors IDO1, IDO2, INMT ALDH1A1 707/4885SMN1; SMN2 4280/4885GLA 899/4885
US-11713321-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 ALDH1A1 4354/4885SMN1; SMN2 3247/4885GLA 3471/4885
US-11339177-B2 Heteroaryl compounds as inhibitors of necrosis, composition and method using the same BAX, LITAF, PNLIP ALDH1A1 3080/4885SMN1; SMN2 636/4885GLA 659/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 ALDH1A1 4542/4885SMN1; SMN2 3670/4885GLA 3810/4885
US-20210155635-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME BAX, LITAF, PNLIP ALDH1A1 3080/4885SMN1; SMN2 636/4885GLA 659/4885
US-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 ALDH1A1 440/4885SMN1; SMN2 2651/4885GLA 1737/4885

“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.