Sugi Predict

Sugi Predict / Compounds / SCHEMBL998743

SCHEMBL998743

SCHEMBL998743

Cc1cc(Cl)ccc1CCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.43
▸ IDO1 P14902 4/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ NOX1 Q9Y5S8 1/20 0.37
▸ P2RX7 Q99572 4/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ SLC22A1 O15245 1/20 0.37

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
SCHEMBL15093979 0.83 CYP3A4 (0.48) CYP3A4IDO1CYP1A2CYP2C9MAPK1
SCHEMBL171203 0.81 CYP3A4 (0.43) CYP3A4IDO1CYP1A2CYP2C9MAPK1
SCHEMBL9861809 0.81 CYP3A4 (0.48) CYP3A4IDO1CYP2C9CYP2C19SLC6A4
SCHEMBL31459834 0.81 CYP3A4 (0.48) CYP3A4IDO1CYP2C9CYP2C19SLC6A4
SCHEMBL27628619 0.81 CYP3A4 (0.43) CYP3A4IDO1CYP1A2CYP2C9MAPK1
SCHEMBL193074 0.79 CYP3A4 (0.46) CYP3A4IDO1CYP1A2CYP2C9MAPK1
SCHEMBL2796665 0.79 CYP3A4 (0.41) CYP3A4IDO1CYP1A2CYP2C9MAPK1
SCHEMBL3162880 0.79 IDO1 (0.61) CYP3A4IDO1CYP1A2CYP2C9MAPK1
SCHEMBL1096478 0.79 PSEN1 (0.42) CYP3A4IDO1CYP1A2CYP2C9MAPK1
SCHEMBL11518880 0.79 HDAC3 (0.42) CYP3A4IDO1CYP1A2CYP2C9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827602-B2 Mono- or di-substituted indole derivatives as dengue viral replication inhibitors Janssen Pharmaceuticals, Inc. (US) 2023-11-28 — — US disclosed
EP-3854789-A1 MACROCYCLIC COMPOUNDS USEFUL AS CHITINASE INHIBITORS CYGNET BIOSCIENCES B.V. (CW) 2021-07-28 — — EP disclosed
EP-2262778-B1 1-BENZYL-3-HYDROXYMETHYLINDAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES BASED ON THE EXPRESSION OF MCP-1, CXCR1 AND P40 ACRAF (IT) 2019-08-21 — — EP disclosed
US-20190142810-A1 MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF PROLIFERATION DISORDERS BASILEA PHARM INT AG (CH) 2019-05-16 — — US disclosed
US-9944598-B2 Mono- or di-substituted indole derivatives as dengue viral replication inhibitors Janssen Pharmaceuticals, Inc. (US) 2018-04-17 — — US disclosed
US-20170298017-A1 Mono- or di-substituted indole derivatives as dengue viral replication inhibitors JANSSEN INFECTIOUS DISEASES BVBA (BE) 2017-10-19 — — US disclosed
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 — — EP disclosed
US-9255073-B2 1-benzyl-3-hydroxymethylindazole derivatives and use thereof in the treatment of diseases based on the expression of MCP-1, CX3CR1 and p40 AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-02-09 — — US disclosed
CN-102159207-B Substituted pyrrolidine-2-carboxamides HOFFMANN LA ROCHE 2015-02-04 — — CN disclosed
CN-104011027-A Use of lonidamine analogs for fertility regulation UNIV KANSAS 2014-08-27 — — CN disclosed
EP-0042508-A1 Benzyl-bis-thiol phosphates, process for their preparation and their use as pesticides BASF Aktiengesellschaft (DE) 1981-12-30 — — EP disclosed
EP-0000002-B1 TETRAHYDROFURANE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1981-08-26 — — EP disclosed
US-4282388-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-08-04 — — US disclosed
EP-0002214-B1 BENZYL ETHERS OF CYCLIC 1,2-DIOLS, METHODS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1981-05-13 — — EP disclosed
EP-0002214-A1 Benzyl ethers of cyclic 1,2-diols, methods for their preparation and their use as herbicides BAYER AG (DE) 1979-06-13 — — EP disclosed
US-4146384-A Tetrahydrofuran-ether compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1979-03-27 — — US disclosed
EP-0000002-A1 Tetrahydrofurane derivatives, processes for their preparation and their use as herbicides BAYER AG (DE) 1978-12-20 — — EP disclosed
US-4117019-A MANUFACTURE OF O-BENZYLTOLUENES BASF AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-3978144-A MANUFACTURE OF O-BENZYLTOLUENES BASF AKTIENGESELLSCHAFT (DT) 1976-08-31 — — US disclosed
US-3961050-A Insecticidal compositions and methods of killing insects using benzylthiomethylenephosphonamidates and phosphoramidates VELSICOL CHEMICAL CORPORATION (US) 1976-06-01 — — 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 (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-11827602-B2 Mono- or di-substituted indole derivatives as dengue viral replication inhibitors IDO1, IDO2, IRF3 CYP3A4 860/4885IDO1 1/4885CYP1A2 1410/4885
US-20190142810-A1 MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF PROLIFERATION DISORDERS NDUFAB1, FH, MT-ND1 CYP3A4 1512/4885IDO1 2047/4885CYP1A2 832/4885
US-20170298017-A1 Mono- or di-substituted indole derivatives as dengue viral replication inhibitors IDO1, IDO2, IRF3 CYP3A4 868/4885IDO1 1/4885CYP1A2 1244/4885

“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.