SCHEMBL1126945

SCHEMBL1126945

COC(=O)c1cccc([N+](=O)[O-])c1OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
MAPT P10636 3/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GLA P06280 1/20 0.47
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 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
SCHEMBL29835086 0.91 MAPT (0.51) TSHRMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL28049576 0.88 MAPT (0.53) TSHRMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL28782981 0.88 ALDH1A1 (0.50) TSHRMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL29686473 0.85 TSHR (0.54) TSHRMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL521662 0.85 TSHR (0.68) TSHRMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL7111424 0.85 TSHR (0.54) TSHRMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL1185665 0.85 TSHR (0.48) TSHRMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL5427764 0.85 ALDH1A1 (0.53) TSHRMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL5572398 0.84 SLC6A2 (0.56) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL31207307 0.84 TSHR (0.53) TSHRMAPTPOLBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260125361-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC (US) 2026-05-07 US disclosed
EP-4461734-B1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC (US) 2026-02-04 EP disclosed
EP-4480953-B1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC (US) 2026-02-04 EP disclosed
US-20250243193-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES SYNGENE INTERNATIONAL LIMITED (IN) 2025-07-31 US disclosed
EP-4592286-A1 MACROCYCLIC NITROGEN-CONTAINING CROWN ETHER COMPOUND AND USE THEREOF AS PROTEIN KINASE INHIBITOR Artivila Biopharma (CN) 2025-07-30 EP disclosed
US-12351572-B2 Substituted 1,2,4-triazoles as TYK2 inhibitors ALUMIS INC. (US) 2025-07-08 US disclosed
CN-113490664-B TYK2 inhibitors and uses thereof 阿鲁米斯公司 2025-05-16 CN disclosed
EP-4538269-A1 SUBSTITUTED PYRIDAZINE-3-CARBOXAMIDE COMPOUND SERVING AS TYK2 INHIBITOR Guangzhou Fermion Technology Co., Ltd. (CN) 2025-04-16 EP disclosed
EP-4538268-A1 PYRIDAZIN-3-CARBOXAMIDE COMPOUND AS TYK2 INHIBITOR Guangzhou Fermion Technology Co., Ltd. (CN) 2025-04-16 EP disclosed
WO-2025072462-A1 SULFONAMIDE DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed
US-5856321-A PREPARATION OF CARBAPENEMS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP disclosed
EP-0579826-B1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LTD (GB) 1998-11-11 EP disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed
US-5652233-A CARBAPENICILLINS ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5478820-A Carbapenem deivatives; bactericides ZENECA LTD. (GB) 1995-12-26 US disclosed
EP-0579826-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1994-01-26 EP disclosed
WO-1993015078-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1993-08-05 WO disclosed
US-4470977-A 3-CHLORO-N-(1-ETHYL-2-PYRROLIDINYLMETHYL2-METHOXYBENZAMIDE ADRIA LABORATORIES, INC. (US) 1984-09-11 US disclosed
EP-0105599-A1 Antiemetic and antipsychotic agents ADRIA LABORATORIES, INC. (US) 1984-04-18 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 (3 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-12351572-B2 Substituted 1,2,4-triazoles as TYK2 inhibitors TYK2, JAK1, JAK3 TSHR 425/4885MAPT 876/4885POLB 3747/4885
US-20250243193-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 TSHR 749/4885MAPT 3440/4885POLB 2458/4885
US-20260125361-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK3 TSHR 473/4885MAPT 454/4885POLB 4214/4885

“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.