Sugi Predict

Sugi Predict / Compounds / SCHEMBL1035377

SCHEMBL1035377

SCHEMBL1035377

O=[N+]([O-])c1ccc(CSCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.81
▸ CYP1A2 P05177 1/20 0.81
▸ CYP2C9 P11712 1/20 0.81
▸ IDO1 P14902 4/20 0.61
▸ LOXL2 Q9Y4K0 1/20 0.59
▸ GFER P55789 1/20 0.56
▸ TSHR P16473 1/20 0.55
▸ LMNA P02545 2/20 0.54
▸ THRB P10828 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ MAPT P10636 2/20 0.53
▸ BCHE P06276 1/20 0.53
▸ ACHE P22303 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ GAA P10253 1/20 0.53
▸ POLB P06746 1/20 0.52

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
SCHEMBL7244787 0.98 CYP2C19 (0.79) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL20357502 0.90 CYP2C19 (0.69) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL18536420 0.88 CYP1A2 (0.66) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL3244320 0.86 CYP2C19 (0.63) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL10902972 0.85 CYP1A2 (0.62) CYP2C19CYP1A2CYP2C9IDO1LOXL2
Methyl Alcohol SCHEMBL28640028 0.85 CYP2C19 (0.62) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL10953348 0.85 CYP1A2 (0.62) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL1203949 0.85 CYP2C19 (0.62) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL8330990 0.83 ALDH1A1 (0.62) CYP2C19CYP1A2CYP2C9IDO1LMNA
SCHEMBL8014656 0.83 CYP2C19 (0.59) CYP2C19CYP1A2CYP2C9IDO1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773240-A Method for preparing p-nitrobenzenesulfide by using microchannel 江苏永创医药科技股份有限公司 2022-07-22 — — CN claimed
US-5635371-A Chemical method for selective modification of the N- and/or C-terminal amino acid α-carbon reactive group of a recombinant polypeptide or a portion thereof BIONEBRASKA, INC. (US) 1997-06-03 — — US claimed
CN-113429559-B Six-arm polyethylene glycol derivative with terminal iso-functionalization and preparation method thereof 厦门赛诺邦格生物科技股份有限公司 2024-08-23 — — CN disclosed
CN-112694608-B Six-arm polyethylene glycol derivative, preparation method and modified biological related substance 厦门赛诺邦格生物科技股份有限公司 2024-07-02 — — CN disclosed
CN-115010915-B Nitrogen-branched nine-arm polyethylene glycol derivative, preparation method and modified biologically-relevant substance thereof 厦门赛诺邦格生物科技股份有限公司 2024-06-11 — — CN disclosed
US-20230406877-A1 COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF INTOCELL, INC. (KR) 2023-12-21 — — US disclosed
CN-117105830-A Fluorination method of p-nitrophenyl methyl sulfide 江苏永创医药科技股份有限公司 2023-11-24 — — CN disclosed
US-11807628-B2 Benzodiazepine derivatives and uses thereof INTOCELL, INC. (KR) 2023-11-07 — — US disclosed
US-11753431-B2 Compounds comprising cleavable linker and uses thereof INTOCELL, INC. (KR) 2023-09-12 — — US disclosed
WO-2023118961-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF INTOCELL, INC. (KR) 2023-06-29 — — WO disclosed
US-20230190939-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF INTOCELL, INC. (KR) 2023-06-22 — — US disclosed
EP-0222889-B1 CYTIDINE ANALOGS AMOCO CORP (US) 1993-10-27 — — EP disclosed
US-4783562-A Process for the preparation of trichloromethyl-substituted aromatic compounds, and trichloromethyl-substituted aromatic compounds obtained in this process BAYER AKTIENGESELLSCHAFT (DE) 1988-11-08 — — US disclosed
EP-0222889-A4 CYTIDINE ANALOGS. INTEGRATED GENETICS INC (US) 1988-09-28 — — EP disclosed
EP-0222889-A1 CYTIDINE ANALOGS. INTEGRATED GENETICS INC (US) 1987-05-27 — — EP disclosed
WO-1986006726-A1 CYTIDINE ANALOGS INTEGRATED GENETICS, INC. (US) 1986-11-20 — — WO disclosed
EP-0061029-B1 PROCESS FOR THE PREPARATION OF TRICHLOROMETHYL-SUBSTITUTED AROMATIC COMPOUNDS BAYER AG (DE) 1986-01-08 — — EP disclosed
US-4393058-A BACTERICIDES MEIJI SEIKA KAISHA, LTD. (JP) 1983-07-12 — — US disclosed
EP-0061029-A1 Process for the preparation of trichloromethyl-substituted aromatic compounds BAYER AG (DE) 1982-09-29 — — EP disclosed
US-4000269-A ACARICIDES AMERICAN CYANAMID COMPANY (US) 1976-12-28 — — 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-20230190939-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF CD47, ENPP2, CD2 CYP2C19 4548/4885CYP1A2 4678/4885CYP2C9 4247/4885
US-11807628-B2 Benzodiazepine derivatives and uses thereof GABRB3, GABRB2, GABRB1 CYP2C19 552/4885CYP1A2 392/4885CYP2C9 786/4885
US-20230406877-A1 COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF VIP, ANTXR2, TNFRSF9 CYP2C19 2688/4885CYP1A2 4459/4885CYP2C9 3289/4885
US-11753431-B2 Compounds comprising cleavable linker and uses thereof VIP, ANTXR2, TNFRSF9 CYP2C19 2688/4885CYP1A2 4459/4885CYP2C9 3289/4885

“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.