Sugi Predict

Sugi Predict / Compounds / SCHEMBL479034

SCHEMBL479034

SCHEMBL479034

CCOP(=O)(Cc1cccc([N+](=O)[O-])c1)OCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 4/20 0.59
▸ CDK9 P50750 4/20 0.59
▸ TSHR P16473 3/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.47
▸ GRM8 O00222 1/20 0.46
▸ GRM6 O15303 1/20 0.46
▸ GRM4 Q14833 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ACHE P22303 2/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ BCHE P06276 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45

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
SCHEMBL27233619 0.94 CCNT1 (0.54) CCNT1CDK9TSHRNPSR1CYP1A2
SCHEMBL4923182 0.87 GRM8 (0.51) CCNT1CDK9TSHRNPSR1CYP1A2
SCHEMBL4923172 0.86 TSHR (0.56) CCNT1CDK9TSHRCYP1A2CYP2D6
SCHEMBL28865842 0.85 MAOB (0.50) CCNT1CDK9TSHRNPSR1CYP1A2
SCHEMBL3390402 0.82 CCNT1 (0.46) CCNT1CDK9TSHRNPSR1MAPT
SCHEMBL78561 0.81 CA1 (0.58) CCNT1CDK9TSHRCYP1A2CYP2C9
SCHEMBL2032607 0.81 TSHR (0.50) CCNT1CDK9TSHRNPSR1CYP1A2
SCHEMBL2033097 0.80 CYP1A2 (0.56) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3512311 0.80 TSHR (0.49) TSHRNPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL2036257 0.80 TSHR (0.59) TSHRCYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115216719-B Wear-resistant numerical control cutter containing composite coating and preparation method thereof 吉安富奇精密制造有限公司 2023-07-21 — — CN disclosed
EP-3189059-B1 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS ST EUROPEO DI ONCOLOGIA S R L (IT) 2023-02-22 — — EP disclosed
CN-115216719-A Wear-resistant numerical control cutter containing composite coating and preparation method thereof 吉安富奇精密制造有限公司 2022-10-21 — — CN disclosed
US-10954258-B2 STAT3 dimerization inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2021-03-23 — — US disclosed
US-10954258-B2 STAT3 dimerization inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2021-03-23 — — US disclosed
US-20200199160-A1 STAT3 DIMERIZATION INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2020-06-25 — — US disclosed
US-20200199160-A1 STAT3 DIMERIZATION INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2020-06-25 — — US disclosed
CN-107501169-B Trans-diarylethene LSD1 inhibitor, preparation method and application thereof 新乡医学院 2020-03-27 — — CN disclosed
US-10183952-B2 Thienopyrroles as histone demethylase inhibitors ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2019-01-22 — — US disclosed
US-20180179235-A1 STAT3 DIMERIZATION INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-06-28 — — US disclosed
US-5677095-A CONTAINS A THIOPHENE-BASED CHARGE TRANSPORT SUBSTANCE HAVING AT LEAST ONE NITRO SUBSTITUENT CANON KABUSHIKI KAISHA (JP) 1997-10-14 — — US disclosed
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 — — CN disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 — — EP disclosed
EP-0760492-A1 Electrophotographic photosensitive member CANON KABUSHIKI KAISHA (JP) 1997-03-05 — — EP disclosed
EP-0757293-A1 Electrophotographic photosensitive member CANON KABUSHIKI KAISHA (JP) 1997-02-05 — — EP disclosed
EP-0757292-A1 Electrophotographic photosensitive member CANON KABUSHIKI KAISHA (JP) 1997-02-05 — — EP disclosed
EP-0752624-A2 Electrophotographic photosensitive member CANON KABUSHIKI KAISHA (JP) 1997-01-08 — — EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 — — WO disclosed
US-5484673-A CHARGE TRANSPORT LAYER CANON KABUSHIKI KAISHA (JP) 1996-01-16 — — US disclosed
EP-0466094-A2 Electrophotographic photosensitive member CANON KABUSHIKI KAISHA (JP) 1992-01-15 — — EP 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-20200199160-A1 STAT3 DIMERIZATION INHIBITORS STAT3, JAK2, STAT1 CCNT1 2398/4885CDK9 228/4885TSHR 2557/4885
US-20180179235-A1 STAT3 DIMERIZATION INHIBITORS STAT3, JAK2, STAT1 CCNT1 2398/4885CDK9 228/4885TSHR 2557/4885
US-10954258-B2 STAT3 dimerization inhibitors STAT3, JAK2, STAT1 CCNT1 2398/4885CDK9 228/4885TSHR 2557/4885
US-10183952-B2 Thienopyrroles as histone demethylase inhibitors KDM1A, KDM1B, KDM3A CCNT1 330/4885CDK9 324/4885TSHR 1132/4885

“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.