Sugi Predict

Sugi Predict / Compounds / SCHEMBL6986744

SCHEMBL6986744

SCHEMBL6986744

COC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.61
▸ KMT2A Q03164 5/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ LMNA P02545 3/20 0.55
▸ HTT P42858 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ CYP3A4 P08684 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ TTR P02766 1/20 0.49
▸ MAPT P10636 1/20 0.49

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
SCHEMBL9827496 0.89 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2593349 0.88 CYP1A2 (0.50) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL5091684 0.87 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL14684960 0.87 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2976618 0.87 GAA (0.60) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL6293793 0.87 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2976612 0.87 GAA (0.60) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL28538766 0.86 PDK1 (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL5256345 0.86 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL3949693 0.86 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3997086-B1 TETRAHYDROISOQUINOLINE COMPOUNDS ALLINKY BIOPHARMA (ES) 2024-06-05 — — EP disclosed
US-20220380357-A1 TETRAHYDROISOQUINOLINE COMPOUNDS ALLINKY BIOPHARMA (ES) 2022-12-01 — — US disclosed
EP-3997086-A1 TETRAHYDROISOQUINOLINE COMPOUNDS Allinky Biopharma (ES) 2022-05-18 — — EP disclosed
EP-3441389-B1 PYRAZOLE-OXAZOLIDINONE COMPOUND FOR ANTI-HEPATITIS B VIRUS SHANGHAI ZHIMENG BIOPHARMA INC (CN) 2021-09-08 — — EP disclosed
CN-109311865-B Pyrazole-oxazolidinone compound for resisting hepatitis B virus 上海挚盟医药科技有限公司 2021-08-31 — — CN disclosed
WO-2021005165-A1 TETRAHYDROISOQUINOLINE COMPOUNDS ALLINKY BIOPHARMA (ES) 2021-01-14 — — WO disclosed
EP-3763711-A1 TETRAHYDROISOQUINOLINE COMPOUNDS Allinky Biopharma (ES) 2021-01-13 — — EP disclosed
EP-3763711-A1 TETRAHYDROISOQUINOLINE COMPOUNDS Allinky Biopharma (ES) 2021-01-13 — — EP disclosed
US-20190152963-A1 PYRAZOLE-OXAZOLIDINONE COMPOUND FOR ANTI-HEPATITIS B VIRUS SHANGHAI ZHIMENG BIOPHARMA, INC. (CN) 2019-05-23 — — US disclosed
EP-3441389-A1 PYRAZOLE-OXAZOLIDINONE COMPOUND FOR ANTI-HEPATITIS B VIRUS Shanghai Zhimeng Biopharma Co., Ltd (CN) 2019-02-13 — — EP disclosed
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-05-22 — — US disclosed
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-05-22 — — US disclosed
WO-2013131408-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS DR.REDDY'S LABORATORIES LTD. (IN) 2013-09-12 — — WO disclosed
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-28 — — US disclosed
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-28 — — US disclosed
WO-2013019682-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 — — WO disclosed
US-6630496-B1 Antiinflammatory agents inhibit phospholipase 2, affecting both protaglandin and leukotriene production; indoles substituted in 2 position by 2,4-dioxo-thiazol-3-yl methylidene GENETICS INSTITUTE LLC 2003-10-07 — — US disclosed
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 — — US disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 — — EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 — — 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 (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-20190152963-A1 PYRAZOLE-OXAZOLIDINONE COMPOUND FOR ANTI-HEPATITIS B VIRUS HAVCR2, ZC3HAV1, ZC3HAV1L ALDH1A1 795/4885KMT2A 3747/4885MEN1 4173/4885
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A ALDH1A1 59/4885KMT2A 2272/4885MEN1 3052/4885
US-20220380357-A1 TETRAHYDROISOQUINOLINE COMPOUNDS NDUFB5, GNAQ, SDHA ALDH1A1 749/4885KMT2A 633/4885MEN1 358/4885
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 ALDH1A1 1026/4885KMT2A 2350/4885MEN1 4556/4885
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A ALDH1A1 59/4885KMT2A 2272/4885MEN1 3052/4885

“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.