Sugi Predict

Sugi Predict / Compounds / SCHEMBL172733

SCHEMBL172733

SCHEMBL172733

Cc1ccccc1-c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ TSHR P16473 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ CYP1A2 P05177 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ PTGS2 P35354 2/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ CNR1 P21554 1/20 0.49
▸ SLC6A4 P31645 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ ENPP3 O14638 1/20 0.43

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
SCHEMBL30493964 1.00 NPC1 (0.59) NPC1RAB9ATSHRHPGDHSD17B10
Hydrochloric Acid SCHEMBL27827157 0.98 NPC1 (0.58) NPC1RAB9ATSHRHPGDHSD17B10
Hydrochloric Acid SCHEMBL7953576 0.98 NPC1 (0.58) NPC1RAB9ATSHRHPGDHSD17B10
Bromide SCHEMBL7953564 0.98 NPC1 (0.58) NPC1RAB9ATSHRHPGDHSD17B10
Chlorobenzene SCHEMBL28396524 0.88 TSHR (0.50) NPC1RAB9ATSHRHPGDHSD17B10
SCHEMBL29551674 0.87 CA12 (0.61) NPC1RAB9ATSHRHPGDHSD17B10
SCHEMBL3633054 0.87 CA12 (0.61) NPC1RAB9ATSHRHPGDHSD17B10
SCHEMBL4541662 0.85 CA12 (0.59) NPC1RAB9ATSHRHPGDHSD17B10
SCHEMBL29551646 0.85 CA12 (0.59) NPC1RAB9ATSHRHPGDHSD17B10
SCHEMBL13176495 0.82 NPC1 (0.47) NPC1RAB9ATSHRHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 — — US claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 — — EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 — — WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 — — US claimed
EP-3507263-B1 EFFICIENT CATALYST FOR THE FORMATION OF POLYARYL HYDROCARBONS SUITABLE AS PRECURSORS FOR POLYDENTATE ORGANOPHOSPHORUS CATALYST LIGANDS EASTMAN CHEM CO (US) 2024-06-19 — — EP disclosed
WO-2024024591-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2024-02-01 — — WO disclosed
WO-2023288100-A1 LIPOSOMAL FORMULATIONS OF BCL INHIBITORS CELATOR PHARMACEUTICALS, INC. (US) 2023-01-19 — — WO disclosed
WO-2023288103-A1 METHODS FOR PREPARING LIPOSOMAL FORMULATIONS CELATOR PHARMACEUTICALS, INC. (US) 2023-01-19 — — WO disclosed
US-11111259-B2 Acylsulfonamide derivatives for treating senescence-associated diseases and disorders UNITY BIOTECHNOLOGY, INC. (US) 2021-09-07 — — US disclosed
US-20200291050-A1 ACYLSULFONAMIDE DERIVATIVES FOR TREATING SENESCENCE-ASSOCIATED DISEASES AND DISORDERS UNITY BIOTECHNOLOGY, INC. 2020-09-17 — — US disclosed
WO-2019146938-A1 COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2019-08-01 — — WO disclosed
CN-110003219-A Pyrazolo [1,5A] pyrimidine and thieno [3,2B] pyrimidine derivatives as IRAK4 regulator 弗·哈夫曼-拉罗切有限公司 2019-07-12 — — CN disclosed
US-5985950-A Acid-curable binder systems containing 1,2 disulfones CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-11-16 — — US disclosed
EP-0927173-A1 SUBSTITUTED [2-(1-PIPERAZINYL)ETHOXY]METHYL UCB, S.A. (BE) 1999-07-07 — — EP disclosed
US-5717003-A LATENT ACID CATALYST CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-02-10 — — US disclosed
WO-1997037982-A1 NOVEL SUBSTITUTED [2-(1-PIPERAZINYL)ETHOXY]METHYL UCB S.A. (BE) 1997-10-16 — — WO disclosed
US-5288848-A Reacting mono- and dihalogenated aromatics with alkali sulfide ; low corrosion during processing BAYER AKTIENGESELLSCHAFT (DE) 1994-02-22 — — US disclosed
EP-0342532-A1 Process for the preparation of 4-chloro-2-methyl-5-nitro-phenol Wella Aktiengesellschaft (DE) 1989-11-23 — — EP disclosed
US-4760127-A Reacting dihalogen aromatics and alkali metal sulfide in presence of a monohalogen compound and a monomercapto compound BAYER AG (DE) 1988-07-26 — — US disclosed
US-4221803-A FUNGICIDES, BACTERICIDES RECORDATI, S.A. (CH) 1980-09-09 — — 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 (4 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-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 NPC1 790/4885RAB9A 483/4885TSHR 1287/4885
US-11111259-B2 Acylsulfonamide derivatives for treating senescence-associated diseases and disorders ACAT1, ARSA, GLA NPC1 667/4885RAB9A 748/4885TSHR 3145/4885
US-20200291050-A1 ACYLSULFONAMIDE DERIVATIVES FOR TREATING SENESCENCE-ASSOCIATED DISEASES AND DISORDERS ACAT1, ARSA, GLA NPC1 667/4885RAB9A 748/4885TSHR 3145/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 NPC1 1060/4885RAB9A 899/4885TSHR 1483/4885

“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.