Sugi Predict

Sugi Predict / Compounds / SCHEMBL2332847

SCHEMBL2332847

SCHEMBL2332847

CC(Br)c1cccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ ADRA2A P08913 4/20 0.46
▸ ADRA2B P18089 4/20 0.46
▸ ADRA2C P18825 4/20 0.46
▸ ADRA1A P35348 2/20 0.46
▸ ADRA1D P25100 1/20 0.46
▸ ADRA1B P35368 1/20 0.46
▸ CYP2A6 P11509 2/20 0.44
▸ SLC6A4 P31645 1/20 0.43
▸ AOC3 Q16853 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL11797328 0.88 HPRT1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL20560402 0.82 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL27548 0.82 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL2998678 0.81 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL66681 0.81 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL28192 0.81 ALDH1A1 (0.74) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL11444158 0.81 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL7388027 0.79 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL9862021 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL1199042 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104447515-A New intermediates for preparing ceritinib and preparation method of intermediate 2Y CHEM LTD 2015-03-25 — — CN claimed
CN-103484089-A Oil-well corrosion-inhibition salt inhibitor and preparation method thereof CHINA PETROLEUM & CHEMICAL 2014-01-01 — — CN claimed
CN-103087707-A Fluorescent chemical sensor and preparation method and application thereof UNIV JIANGSU TECHNOLOGY 2013-05-08 — — CN claimed
WO-2022008679-A1 RUTHENIUM COMPLEXES, THEIR OPTICALLY PURE ENANTIOMERS AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-01-13 — — WO disclosed
EP-3936511-A1 RUTHENIUM COMPLEXES, THEIR OPTICALLY PURE ENANTIOMERS AND USES THEREOF Centre national de la recherche scientifique (FR) 2022-01-12 — — EP disclosed
CN-108383697-B Method for preparing deuterated aldehyde by taking halomethyl compound as raw material 中山大学 2021-11-19 — — CN disclosed
US-20210300953-A1 OPTICALLY-ACTIVE CYCLOPENTENONE DERIVATIVES TOHOKU UNIVERSITY (JP) 2021-09-30 — — US disclosed
US-10889555-B2 Sulfonamide compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-01-12 — — US disclosed
US-20200405697-A1 Antitumor Agent TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-12-31 — — US disclosed
US-20200399235-A1 Sulfonamide Compound or Salt Thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-12-24 — — US disclosed
EP-3071562-B1 TETRAHYDRO-BENZODIAZEPINONES HOFFMANN LA ROCHE (CH) 2020-10-14 — — EP disclosed
EP-0313847-A2 Non-peptidyl alpha-succinamidoacyl aminodiols as anti-hypertensive agents G.D. Searle & Co. (US) 1989-05-03 — — EP disclosed
US-4806538-A ANTICOAGULANT, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-02-21 — — US disclosed
EP-0181152-A1 Piperazine compound as PAF-antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 — — EP disclosed
US-RE30279-E FROM ALKYL OR ARYL HALIDE WITH HALO-SUBSTITUTED TRIVALENT PHOSPHORUS COMPOUNDS AND PHOSPHORUS PENTASULFIDE OR -OXIDE STAUFFER CHEMICAL COMPANY (US) 1980-05-20 — — US disclosed
US-4182902-A P-(P'-CHLOROBENZYL) PHENOXYACETIC ACID SIEGFRIED AKTIENGESELLSCHAFT (CH) 1980-01-08 — — US disclosed
US-4153803-A Cholesterol-lowering phenoxyalkanoic acid esters SIEGFRIED AKTIENGESELLSCHAFT (CH) 1979-05-08 — — US disclosed
US-4133830-A RECYCLING BY-PRODUCTS TO SUCCESSIVE RUNS TO IMPROVE YIELD STAUFFER CHEMICAL COMPANY (US) 1979-01-09 — — US disclosed
US-4076746-A FROM AN ALKYL OR ARYL HALIDE AND PHOSPHORUS SESQUISULFIDE STAUFFER CHEMICAL COMPANY (US) 1978-02-28 — — US disclosed
US-4046819-A Alkylation of alkyl, cycloalkyl and aralkyl halides UOP INC. (US) 1977-09-06 — — 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-20200399235-A1 Sulfonamide Compound or Salt Thereof RNASEH1, SNRPA1, RRM2 ALDH1A1 1103/4885CYP1A2 1220/4885CYP2C9 2356/4885
US-20210300953-A1 OPTICALLY-ACTIVE CYCLOPENTENONE DERIVATIVES PTGIS, PTGES, PTGES2 ALDH1A1 478/4885CYP1A2 217/4885CYP2C9 251/4885
US-10889555-B2 Sulfonamide compound or salt thereof RNASEH1, SNRPA1, RRM2 ALDH1A1 1103/4885CYP1A2 1220/4885CYP2C9 2356/4885
US-20200405697-A1 Antitumor Agent HNRNPR, RRM2, RRM2B ALDH1A1 1397/4885CYP1A2 1869/4885CYP2C9 3523/4885

“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.