Sugi Predict

Sugi Predict / Compounds / SCHEMBL324539

SCHEMBL324539

SCHEMBL324539

O=C(O)c1ccc(-c2cccnc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 2/20 1.00
▸ MKNK2 Q9HBH9 2/20 1.00
▸ CYP2A6 P11509 8/20 0.73
▸ CYP3A4 P08684 5/20 0.73
▸ CYP2C9 P11712 5/20 0.73
▸ CYP2C19 P33261 5/20 0.73
▸ HDAC4 P56524 2/20 0.71
▸ HDAC1 Q13547 2/20 0.71
▸ HDAC6 Q9UBN7 2/20 0.71
▸ HDAC3 O15379 1/20 0.71
▸ HDAC7 Q8WUI4 1/20 0.71
▸ HDAC2 Q92769 1/20 0.71
▸ HDAC10 Q969S8 1/20 0.71
▸ HDAC11 Q96DB2 1/20 0.71
▸ HDAC8 Q9BY41 1/20 0.71
▸ HDAC9 Q9UKV0 1/20 0.71
▸ HDAC5 Q9UQL6 1/20 0.71
▸ MEN1 O00255 1/20 0.64
▸ POLB P06746 1/20 0.64
▸ RAB9A P51151 1/20 0.64

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
SCHEMBL27605083 0.88 MKNK1 (0.78) MKNK1MKNK2CYP2A6CYP3A4CYP2C9
SCHEMBL27565416 0.85 MKNK1 (0.73) MKNK1MKNK2CYP2A6CYP3A4CYP2C9
SCHEMBL3649364 0.85 CYP2A6 (1.00) MKNK1MKNK2CYP2A6CYP3A4CYP2C9
SCHEMBL5903988 0.83 HDAC1 (1.00) MKNK1MKNK2CYP2A6CYP3A4CYP2C9
SCHEMBL17208101 0.82 MKNK1 (0.70) MKNK1MKNK2CYP2A6CYP3A4CYP2C9
SCHEMBL1761545 0.81 RAB9A (0.92) MKNK1MKNK2HDAC1HDAC6MEN1
SCHEMBL3098140 0.81 HDAC6 (0.71) MKNK1MKNK2CYP2A6CYP3A4CYP2C9
SCHEMBL23091165 0.81 MKNK1 (0.67) MKNK1MKNK2CYP2A6CYP3A4CYP2C9
SCHEMBL23091256 0.81 NPC1 (0.76) MKNK1MKNK2CYP2A6CYP3A4CYP2C9
SCHEMBL2247613 0.80 HDAC1 (0.69) MKNK1MKNK2CYP2A6CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3805210-B1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AUTOPHAGYSCIENCES INC (KR) 2023-11-29 — — EP claimed
US-9802947-B2 3-oxo-tetrahydro-furo[3,2-b]pyrrol-4(5H)-yl) derivatives II Grünenthal GmbH (DE) 2017-10-31 — — US disclosed
US-9802947-B2 3-oxo-tetrahydro-furo[3,2-b]pyrrol-4(5H)-yl) derivatives II Grünenthal GmbH (DE) 2017-10-31 — — US disclosed
US-9802947-B2 3-oxo-tetrahydro-furo[3,2-b]pyrrol-4(5H)-yl) derivatives II Grünenthal GmbH (DE) 2017-10-31 — — US disclosed
US-9725459-B2 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I GRUNENTHAL GMBH (DE) 2017-08-08 — — US disclosed
US-9725459-B2 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I GRUNENTHAL GMBH (DE) 2017-08-08 — — US disclosed
US-9725459-B2 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I GRUNENTHAL GMBH (DE) 2017-08-08 — — US disclosed
EP-3140309-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2017-03-15 — — EP disclosed
EP-3134414-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES II Grünenthal GmbH (DE) 2017-03-01 — — EP disclosed
US-20150373978-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER IP GMBH (DE) 2015-12-31 — — US disclosed
US-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 — — US disclosed
US-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-07-01 — — US disclosed
WO-2004013130-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2004-02-12 — — WO disclosed
WO-2004013130-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2004-02-12 — — WO disclosed
EP-1362052-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 — — EP disclosed
WO-2002057270-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 — — WO disclosed
US-6323227-B1 PRODRUGS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-11-27 — — US disclosed
CN-1236358-A Substituted N-[(aminoiminomethyl or aminomethyl) phenyl] propyl amides RHONE POULENC RORER PHARMA (US) 1999-11-24 — — CN disclosed
EP-0931060-A1 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-28 — — EP disclosed
WO-1999000356-A1 SUBSTITUTED N-[(AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1999-01-07 — — 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 (3 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-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 MKNK1 240/4885MKNK2 267/4885CYP2A6 3405/4885
US-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 MKNK1 2199/4885MKNK2 1994/4885CYP2A6 3283/4885
US-20150373978-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS MKNK1 1428/4885MKNK2 1269/4885CYP2A6 853/4885

“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.