Sugi Predict

Sugi Predict / Compounds / SCHEMBL222270

SCHEMBL222270

SCHEMBL222270

COC(=O)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.67
▸ KMT2A Q03164 4/20 0.64
▸ GAA P10253 2/20 0.62
▸ MAPK1 P28482 2/20 0.62
▸ HTT P42858 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ PKM P14618 1/20 0.60
▸ POLB P06746 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ MAPT P10636 5/20 0.58
▸ ADRB2 P07550 1/20 0.57
▸ ADRB1 P08588 1/20 0.57
▸ ADRB3 P13945 1/20 0.57
▸ NR1H4 Q96RI1 1/20 0.56
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ MCL1 Q07820 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ FLT1 P17948 1/20 0.53

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
SCHEMBL1761462 0.88 TDP1 (0.54) TDP1KMT2AGAAMAPK1HTT
SCHEMBL422653 0.87 GAA (0.64) KMT2AGAAMAPK1NPSR1PKM
SCHEMBL1403472 0.85 ALDH1A1 (0.56) TDP1KMT2AGAAMAPK1HTT
SCHEMBL30203403 0.85 ALDH1A1 (0.56) TDP1KMT2AGAAMAPK1HTT
SCHEMBL18584727 0.84 TDP1 (0.51) TDP1KMT2AGAAMAPK1HTT
Methane SCHEMBL27588822 0.83 ALDH1A1 (0.54) TDP1KMT2AGAAMAPK1HTT
SCHEMBL751610 0.83 NR1H4 (0.59) TDP1KMT2AGAAMAPK1HTT
SCHEMBL8490992 0.83 TDP1 (0.70) TDP1KMT2AGAAMAPK1HTT
SCHEMBL11547738 0.83 ALDH1A1 (0.51) TDP1KMT2AGAAMAPK1HTT
SCHEMBL2195775 0.82 MAPK1 (0.64) TDP1KMT2AGAAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250340560-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS BRUTON'S TYROSINE KINASE MODULATORS BEIGENE SWITZERLAND GMBH (CH) 2025-11-06 — — US disclosed
US-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria UNIVERZA V LJUBLJANI (SI) 2025-03-25 — — US disclosed
CN-119241383-A Efficient synthesis method of chloroprocaine hydrochloride 南京斯泰尔医药科技有限公司 2025-01-03 — — CN disclosed
US-20240254128-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS BRUTON'S TYROSINE KINASE MODULATORS BEIGENE SWITZERLAND GMBH (CH) 2024-08-01 — — US disclosed
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 — — US disclosed
US-20230359119-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-09 — — US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 — — US disclosed
CN-114644635-B Triazole tricyclic derivative and preparation method and application thereof 上海济煜医药科技有限公司 2023-02-03 — — CN disclosed
US-20230013862-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS BRUTON'S TYROSINE KINASE MODULATORS BEIGENE SWITZERLAND GMBH (CH) 2023-01-19 — — US disclosed
WO-2022135335-A1 TRIAZOLE TRICYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海济煜医药科技有限公司 2022-06-30 — — WO disclosed
WO-1999061406-A2 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LABORATORIES (US) 1999-12-02 — — WO disclosed
EP-0873123-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-02-03 — — EP disclosed
EP-0873123-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-10-28 — — EP disclosed
WO-1997017070-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-05-15 — — WO disclosed
CN-1020603-C METHOD FOR PREPARATION OF MERCAPTOBENZOATES ICI AMERICA INC (US) 1993-05-12 — — CN disclosed
EP-0272742-B1 METHOD FOR PREPARATION OF MERCAPTOBENZOATES STAUFFER AGRICULTURAL CHEMICALS COMPANY, INC. (US) 1991-10-16 — — EP disclosed
CN-87107367-A Preparation method of mercaptobenzoate — 1988-12-28 — — CN disclosed
EP-0272742-A1 Method for preparation of mercaptobenzoates STAUFFER AGRICULTURAL CHEMICALS COMPANY, INC. (US) 1988-06-29 — — EP disclosed
US-4704467-A Method for preparation of mercaptobenzoates STAUFFER CHEMICAL COMPANY (US) 1987-11-03 — — US disclosed
US-4692545-A Method for preparation of mercaptobenzoates STAUFFER CHEMICAL COMPANY (US) 1987-09-08 — — 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 (6 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-20240254128-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS BRUTON'S TYROSINE KINASE MODULATORS BTK, LCK, SYK TDP1 303/4885KMT2A 2628/4885GAA 2740/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO TDP1 3293/4885KMT2A 1528/4885GAA 4713/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO TDP1 3092/4885KMT2A 1487/4885GAA 4693/4885
US-20230013862-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS BRUTON'S TYROSINE KINASE MODULATORS BTK, LCK, SYK TDP1 303/4885KMT2A 2628/4885GAA 2740/4885
US-20250340560-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS BRUTON'S TYROSINE KINASE MODULATORS BTK, LCK, SYK TDP1 303/4885KMT2A 2628/4885GAA 2740/4885
US-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria TOP1, TOP2A, TOP2B TDP1 39/4885KMT2A 2632/4885GAA 71/4885

“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.