Sugi Predict

Sugi Predict / Compounds / SCHEMBL2391945

SCHEMBL2391945

SCHEMBL2391945

COc1ccc(CC(=O)O)cc1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 2/20 0.61
▸ HDAC1 Q13547 1/20 0.61
▸ HDAC8 Q9BY41 1/20 0.61
▸ HDAC6 Q9UBN7 1/20 0.61
▸ GAA P10253 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ TSHR P16473 1/20 0.59
▸ NFKB1 P19838 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ RXRA P19793 1/20 0.58
▸ ATM Q13315 1/20 0.57
▸ KMT2A Q03164 2/20 0.56
▸ FFAR1 O14842 1/20 0.56
▸ FFAR4 Q5NUL3 1/20 0.56
▸ BCHE P06276 1/20 0.56
▸ CA5A P35218 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL31011346 0.94 NPC1 (0.63) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL1114985 0.94 NPC1 (0.63) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL3817639 0.91 FFAR4 (0.55) RXRAFFAR1FFAR4NPC1HPGD
SCHEMBL10730593 0.90 SMPD1 (0.60) SMPD1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL2394315 0.89 SMPD1 (0.59) SMPD1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL3413422 0.88 SMPD1 (0.57) SMPD1HDAC1HDAC8HDAC6FFAR1
SCHEMBL6035750 0.87 MAPT (0.61) GAAALDH1A1ATMKMT2AFFAR4
SCHEMBL16930277 0.86 SMPD1 (0.56) SMPD1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL16930311 0.86 SMPD1 (0.56) SMPD1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL7822529 0.86 FFAR4 (0.73) SMPD1HDAC1HDAC8HDAC6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111518108-B Complete synthesis method of optically pure tetrandrine 浙江金华康恩贝生物制药有限公司 2022-11-29 — — CN disclosed
CN-110240539-B Fluorine substituted diphenylethane compound, preparation method and application 上海应用技术大学 2021-12-07 — — CN disclosed
CN-107303298-B Pharmaceutical application of benzo [ g ] heteroaryl [ a, g ] quinolizine compound and preparation method thereof 中国科学院上海药物研究所 2021-06-22 — — CN disclosed
CN-111518108-A Complete synthesis method of optically pure tetrandrine 浙江金华康恩贝生物制药有限公司 2020-08-11 — — CN disclosed
CN-107303298-A A kind of benzene [g] heteroaryl simultaneously medicinal usage of [a, g] quinolizine class compound and preparation method thereof 中国科学院上海药物研究所 2017-10-31 — — CN disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 — — US disclosed
EP-2516009-B1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2014-09-24 — — EP disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 — — US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 — — US disclosed
US-8318798-B2 Therapeutic agent for neurodegenerative disease NATIONAL UNIVERSITY CORPORATION HOKKALDO UNIVERSITY (JP) 2012-11-27 — — US disclosed
EP-0781126-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 2001-12-12 — — EP disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 — — EP disclosed
WO-2001068609-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2001-09-20 — — WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 — — WO disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
US-5674909-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS ZAMBON GROUP (IT) 1997-10-07 — — US disclosed
EP-0781126-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1997-07-02 — — EP disclosed
WO-1996008228-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1996-03-21 — — WO disclosed
EP-0613879-A1 PHELLODENDRINE ANALOGS AND ALLERGY TYPE IV SUPPRESSOR CONTAINING THE SAME AS ACTIVE INGREDIENT TSUMURA & CO. (JP) 1994-09-07 — — 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 (1 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-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 SMPD1 4631/4885HDAC1 550/4885HDAC8 1504/4885

“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.