Sugi Predict

Sugi Predict / Compounds / SCHEMBL799656

SCHEMBL799656

SCHEMBL799656

Cc1cc(C)c([N+](=O)[O-])cc1C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 8/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ TDP1 Q9NUW8 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ HSP90AA1 P07900 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ CCR6 P51684 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ NLRP1 Q9C000 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.50
▸ GPR35 Q9HC97 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL29479089 1.00 TSHR (0.54) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL8053279 0.95 TSHR (0.58) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL5311206 0.92 TSHR (0.56) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL2352240 0.90 TSHR (0.54) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL30313522 0.89 TSHR (0.58) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL772362 0.89 TSHR (0.58) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL11554386 0.82 CYP1A2 (0.52) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL11517391 0.81 TSHR (0.47) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL799388 0.81 GPR35 (0.52) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL1828398 0.81 ALDH1A1 (0.51) TSHRALDH1A1CYP3A4CYP1A2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732534-B2 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2010-06-08 — — US claimed
US-20080051519-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION (JP) 2008-02-28 — — US claimed
US-20080051552-A1 Polymers functionalized with nitro compounds BRIDGESTONE CORPORATION 2008-02-28 — — US claimed
US-12630566-B2 KRas G12D inhibitors Mirati Therapeutics, Inc. (US) 2026-05-19 — — US disclosed
US-20260060961-A1 SUBSTITUTED HETEROCYCLES AS RAS INHIBITORS JAZZ PHARMACEUTICALS IRELAND LTD (IE) 2026-03-05 — — US disclosed
EP-4581024-A1 SUBSTITUTED HETEROCYCLES AS RAS INHIBITORS Jazz Pharmaceuticals Ireland Limited (IE) 2025-07-09 — — EP disclosed
US-20240317721-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN NOVARTIS AG (CH) 2024-09-26 — — US disclosed
US-20240309020-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2024-09-19 — — US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 — — US disclosed
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 — — CN disclosed
EP-4359081-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN Novartis AG (CH) 2024-05-01 — — EP disclosed
US-6380230-B1 FOR THERAPY OF DYSKINESIA, OBESITY, IRRITABLE BOWEL SYNDROME, DISEASES WHOSE TREATMENT REQUIRES STIMULATION OF THE CHOLECYSTOKININ CCK-A RECEPTORS SANOFI-SYNTHELABO (FR) 2002-04-30 — — US disclosed
US-5500060-A IMPROVED SAFETY RELATED TO UNWANTED IGNITION, NITRAMINE COMPOUNDS, AROMATIC NITRO COMPOUNDS ROYAL ORDNANCE PLC (GB) 1996-03-19 — — US disclosed
US-5138098-A Catalytic actlation using complexing agent AMOCO CORPORATION (US) 1992-08-11 — — US disclosed
EP-0261175-A4 FIBEROUS BATT AND METHOD FOR PRODUCING SUCH. FIBERLOK INC (US) 1988-07-14 — — EP disclosed
EP-0261175-A1 FIBEROUS BATT AND METHOD FOR PRODUCING SUCH FIBERLOK, INC. (US) 1988-03-30 — — EP disclosed
CN-87102669-A Fiberboard and manufacture method thereof — 1987-12-30 — — CN disclosed
WO-1987005639-A1 FIBEROUS BATT AND METHOD FOR PRODUCING SUCH FIBERLOK, INC. (US) 1987-09-24 — — WO disclosed
US-4198350-A Amination/demethylation process STANDARD OIL COMPANY (INDIANA) (US) 1980-04-15 — — US disclosed
US-3976639-A Intermediates for indoles HOFFMANN-LA ROCHE INC. (US) 1976-08-24 — — 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 (5 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-20260060961-A1 SUBSTITUTED HETEROCYCLES AS RAS INHIBITORS KRAS, NRAS, HRAS TSHR 1333/4885ALDH1A1 1940/4885CYP3A4 2846/4885
US-12630566-B2 KRas G12D inhibitors KRAS, NRAS, HRAS TSHR 4213/4885ALDH1A1 1816/4885CYP3A4 4044/4885
US-20240317721-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN KRAS, NRAS, APC TSHR 4109/4885ALDH1A1 3042/4885CYP3A4 2867/4885
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS TSHR 4424/4885ALDH1A1 2871/4885CYP3A4 4645/4885
US-20240309020-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS TSHR 4393/4885ALDH1A1 2681/4885CYP3A4 3974/4885

“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.