Sugi Predict

Sugi Predict / Compounds / SCHEMBL1655642

SCHEMBL1655642

SCHEMBL1655642

O=C=Nc1csc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 0.44
▸ PKM P14618 2/20 0.42
▸ MAPT P10636 5/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CNR2 P34972 1/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ CA1 P00915 2/20 0.36

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
SCHEMBL6983875 0.81 ALDH1A1 (0.48) CYP2A6PKMMAPTHDAC3HDAC4
SCHEMBL9768539 0.74 CYP2A6 (0.45) CYP2A6PKMMAPTHDAC3HDAC4
SCHEMBL9768538 0.74 PKM (0.46) CYP2A6PKMMAPTHDAC3HDAC4
SCHEMBL96527 0.74 CYP2A6 (0.48) CYP2A6PKMMAPTHDAC3HDAC4
SCHEMBL29405309 0.72 CYP3A4 (0.50) PKMMAPTCYP3A4NPC1MEN1
SCHEMBL27066 0.72 CYP3A4 (0.50) PKMMAPTCYP3A4NPC1MEN1
SCHEMBL6765638 0.71 CYP2A6 (0.47) CYP2A6PKMMAPTHDAC3HDAC4
SCHEMBL29395383 0.69 CYP3A4 (0.64) MAPTCYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL15431 0.69 CYP3A4 (0.64) MAPTCYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL10972511 0.68 CYP2A6 (0.40) CYP2A6PKMMAPTHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118742543-A Dihydro isoquinoline compound and medical application thereof 中国科学院上海药物研究所 2024-10-01 — — CN disclosed
WO-2023174383-A1 DIHYDROISOQUINOLINE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-09-21 — — WO disclosed
CN-111094286-B 1, 2-dihydro-1, 6-naphthyridine derivatives, preparation method and medical application thereof 浙江海正药业股份有限公司 2022-07-29 — — CN disclosed
WO-2019056990-A1 1,2-DIHYDRO-1,6-NAPHTHYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE 浙江海正药业股份有限公司 2019-03-28 — — WO disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 — — US disclosed
US-7923446-B2 3-Methyl-2-[4'-(pyridin-3-ylmethoxymethyl)-biphenyl-4-sulfonylamino]-butyric acid; metalloproteinase inhibitors; arthritis, macular degeneration, graft versus host disease, cancer, osteoarthritis WYETH LLC (US) 2011-04-12 — — US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 — — US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 — — US disclosed
EP-1689380-A4 METHOD FOR TREATING ADAMTS-5-ASSOCIATED DISEASE WYETH CORP (US) 2009-03-18 — — EP disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 — — US disclosed
US-7268135-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2007-09-11 — — US disclosed
EP-1709040-A2 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF SRC FAMILY PROTEIN KINASE Sirenade Pharmaceuticals AG (DE) 2006-10-11 — — EP disclosed
EP-1689380-A2 METHOD FOR TREATING ADAMTS-5-ASSOCIATED DISEASE Wyeth (US) 2006-08-16 — — EP disclosed
EP-1689716-A1 BIARYL SULFONAMIDES AND METHODS FOR USING SAME Wyeth (US) 2006-08-16 — — EP disclosed
US-20060004066-A1 Method for treating ADAMTS-5-associated disease WYETH (US) 2006-01-05 — — US disclosed
WO-2005068458-A2 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF SRC FAMILY PROTEIN KINASE SIRENADE PHARMACEUTICALS AG (DE) 2005-07-28 — — WO disclosed
EP-1555264-A1 Five-membered heterocyclic compounds as inhibitors of SRC family protein kinase. Sireen AG (DE) 2005-07-20 — — EP disclosed
WO-2005060456-A2 METHOD FOR TREATING ADAMTS-5-ASSOCIATE DISEASE WYETH (US) 2005-07-07 — — WO disclosed
WO-2005061459-A1 BIARYL SULFONAMIDES AND METHODS FOR USING SAME WYETH (US) 2005-07-07 — — WO disclosed
US-20050130973-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-16 — — US 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-20050130973-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC CYP2A6 432/4885PKM 4326/4885MAPT 4416/4885
US-20060004066-A1 Method for treating ADAMTS-5-associated disease ADAMTS5, ADAMTS1, ADAMTS4 CYP2A6 1339/4885PKM 4031/4885MAPT 1719/4885
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CYP2A6 4613/4885PKM 1944/4885MAPT 9/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CYP2A6 4613/4885PKM 1944/4885MAPT 9/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CYP2A6 4613/4885PKM 1944/4885MAPT 9/4885

“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.