Sugi Predict

Sugi Predict / Compounds / SCHEMBL844701

SCHEMBL844701

SCHEMBL844701

Cc1cc(C(=O)Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.72
▸ ALDH1A1 P00352 3/20 0.55
▸ POLB P06746 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MAPT P10636 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ GAA P10253 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ALPL P05186 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ MGAM O43451 1/20 0.49
▸ AMY1A P0DUB6 1/20 0.49
▸ SI P14410 1/20 0.49
▸ MGAM2 Q2M2H8 1/20 0.49
▸ CASP6 P55212 1/20 0.49

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
SCHEMBL9550639 0.86 TSHR (0.58) TSHRALDH1A1POLBKDM4EMAPT
SCHEMBL30270576 0.86 TSHR (0.72) TSHRALDH1A1POLBMAPTMEN1
SCHEMBL242546 0.86 TSHR (0.72) TSHRALDH1A1POLBMAPTMEN1
SCHEMBL28050912 0.85 TSHR (0.77) TSHRALDH1A1POLBKDM4EMAPT
Ammonia Solution, Strong SCHEMBL27639793 0.84 TSHR (0.70) TSHRALDH1A1POLBMAPTMEN1
SCHEMBL1026131 0.84 TSHR (0.74) TSHRALDH1A1POLBKDM4EMAPT
SCHEMBL264768 0.84 TSHR (1.00) TSHRALDH1A1POLBKDM4EMAPT
SCHEMBL29492133 0.83 CASP6 (0.69) TSHRALDH1A1CASP6
SCHEMBL1966463 0.83 CASP6 (0.69) TSHRALDH1A1CASP6
SCHEMBL8094894 0.82 TSHR (0.72) TSHRALDH1A1POLBKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112441984-B Benzimidazole-substituted phenyl n-butyramide-based compound and preparation method thereof 上海特化医药科技有限公司 2024-04-19 — — CN claimed
US-20220289684-A1 BENZIMIDAZOLE SUBSTITUTION-BASED PHENYL N-BUTYRAMIDE COMPOUND AND PREPARATION METHOD THEREFOR SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-09-15 — — US claimed
CN-111056967-B Synthetic method of 3-methyl-4-amino-N- (4-amino-2-methyl-phenyl) -benzamide 常州市阳光药业有限公司 2022-09-13 — — CN claimed
CN-113336773-B Spiro-bis-benzoxazole diamine, preparation method and application thereof, polyimide, preparation method and application thereof 东华大学 2022-09-13 — — CN claimed
CN-112441984-A Benzimidazole substituted phenyl n-butylamide-based compound and preparation method thereof 上海特化医药科技有限公司 2021-03-05 — — CN claimed
WO-2021037127-A1 BENZIMIDAZOLE SUBSTITUTION-BASED PHENYL N-BUTYRAMIDE COMPOUND AND PREPARATION METHOD THEREFOR 上海特化医药科技有限公司 2021-03-04 — — WO claimed
CN-110105239-B Production method of 3-methyl-4-nitrobenzoic acid trichlorocyanobutyl ester 山东华科化工有限公司 2020-10-23 — — CN claimed
CN-111056967-A Synthetic method of 3-methyl-4-amino-N- (4-amino-2-methyl-phenyl) -benzamide 常州市阳光药业有限公司 2020-04-24 — — CN claimed
US-20240400555-A1 Compounds, Compositions and Methods for Attenuation of Mammalian Translation of C-MYC or N-MYC Proteins of the MYC Proto-Oncogene Family of BHLH Transcription Factors INITIAL THERAPEUTICS, INC. (US) 2024-12-05 — — US disclosed
WO-2024226875-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR ATTENUATION OF MAMMALIAN TRANSLATION OF C-MYC OR N-MYC PROTEINS OF THE MYC PROTO-ONCOGENE FAMILY OF BHLH TRANSCRIPTION FACTORS INITIAL THERAPEUTICS, INC. (US) 2024-10-31 — — WO disclosed
CN-116200050-B Disperse blue-to-black dye composition and dye product thereof 浙江龙盛集团股份有限公司 2024-08-13 — — CN disclosed
CN-116200048-B Disperse dye compound containing benzoate groups and application thereof 浙江龙盛集团股份有限公司 2024-08-13 — — CN disclosed
CN-114945636-B Azo compound or salt thereof, polarizing film, polarizing plate, and display device 日本化药株式会社 2024-07-12 — — CN disclosed
CN-112441984-B Benzimidazole-substituted phenyl n-butyramide-based compound and preparation method thereof 上海特化医药科技有限公司 2024-04-19 — — CN disclosed
US-4017540-A INSECTICIDES, MITICIDES THE UPJOHN COMPANY (US) 1977-04-12 — — US disclosed
US-4001218-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 — — US disclosed
US-3982011-A ANTIBIOTICS, ANIMAL GROWTH PROMOTERS BAYER AKTIENGESELLSCHAFT (DT) 1976-09-21 — — US disclosed
US-3971741-A DISPERSION PIGMENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 — — US disclosed
US-3932661-A Anthelmintic methods employing benzoyl chloride phenylhydrazones THE UPJOHN COMPANY (US) 1976-01-13 — — US disclosed
US-3931153-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 — — 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 (2 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-20240400555-A1 Compounds, Compositions and Methods for Attenuation of Mammalian Translation of C-MYC or N-MYC Proteins of the MYC Proto-Oncogene Family of BHLH Transcription Factors MYCBP, MYC, MYCBP2 TSHR 4270/4885ALDH1A1 3684/4885POLB 849/4885
US-20220289684-A1 BENZIMIDAZOLE SUBSTITUTION-BASED PHENYL N-BUTYRAMIDE COMPOUND AND PREPARATION METHOD THEREFOR PAH, PNP, CYP3A4 TSHR 4202/4885ALDH1A1 1641/4885POLB 685/4885

“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.