SCHEMBL4872019

SCHEMBL4872019

O=[N+]([O-])c1ccc(F)c(Cl)c1O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.53
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
HIF1A Q16665 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TTR P02766 2/20 0.42
VCAM1 P19320 1/20 0.42
CASP6 P55212 1/20 0.41
ERN1 O75460 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL27352241 0.98 GPR35 (0.52) GPR35TDP1TSHRMAPK1ATM
SCHEMBL34473568 0.85 TDP1 (0.52) GPR35TDP1TSHRMAPK1ATM
SCHEMBL29940081 0.82 TDP1 (0.63) GPR35TDP1TSHRMAPK1ATM
SCHEMBL2551163 0.82 TDP1 (0.63) GPR35TDP1TSHRMAPK1ATM
SCHEMBL10434405 0.80 GPR35 (0.57) GPR35TDP1TSHRMAPK1HIF1A
SCHEMBL31170798 0.80 TDP1 (0.67) GPR35TDP1TSHRMAPK1ALDH1A1
SCHEMBL5595026 0.80 TDP1 (0.67) GPR35TDP1TSHRMAPK1ALDH1A1
SCHEMBL308086 0.80 TDP1 (0.50) GPR35TDP1TSHRMAPK1ATM
SCHEMBL521166 0.80 GPR35 (0.54) GPR35TDP1TSHRMAPK1ATM
SCHEMBL29705108 0.80 TDP1 (0.50) GPR35TDP1TSHRMAPK1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11279100-A None JP disclosed
CN-118852123-A Novel heterocyclic compounds as Pol theta inhibitors for the treatment and prevention of cancer and pharmaceutical compositions containing the same 株式会社大熊制药 2024-10-29 CN disclosed
US-20240307362-A1 4H-PYRROLO[3,2-c]PYRIDIN-4-ONE COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2024-09-19 US disclosed
WO-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed
WO-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed
EP-3959212-A1 4H-PYRROLO[3,2-C]PYRIDIN-4-ONE COMPOUNDS Bayer Aktiengesellschaft (DE) 2022-03-02 EP disclosed
WO-2020216773-A1 4H-PYRROLO[3,2-C]PYRIDIN-4-ONE COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-10-29 WO disclosed
US-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 US disclosed
US-20070054912-A1 Modulators of acetylcholine receptors ASTLES PETER C 2007-03-08 US disclosed
US-7148236-B2 Modulators of acetylcholine receptors MERCK & CO., INC. (US) 2006-12-12 US disclosed
EP-1472248-A1 MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-11-03 EP disclosed
EP-1467986-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-10-20 EP disclosed
WO-2003062224-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 WO disclosed
WO-2003062235-A1 MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 WO disclosed
US-6172268-B1 REACTING A HYDROXY AROMATIC COMPOUND WITH A PROPYLENE OXIDE IN PRESENCE OF METAL COMPLEX CATALYST ASAHI GLASS COMPANY, LIMITED (JP) 2001-01-09 US disclosed
JP-H11279100-A PRODUCTION OF OPTICALLY ACTIVE 1-SUBSTITUTED-2-PROPANOL ASAHI GLASS CO LTD 1999-10-12 JP disclosed
US-5773651-A Process for the preparation of fluorine-containing chemical compounds HOECHST AKTIENGESELLSCHAFT (DE) 1998-06-30 US disclosed
EP-0778081-A1 Process for preparing fluorine containing chemical compounds HOECHST AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
CN-1042538-A Opticity benzoxazine and benzothiazine and Stereoselective preparation method thereof GIST BROCADES NV (NL) 1990-05-30 CN disclosed
EP-0368410-A2 Optically active benzoxazines and bezothiazines and a process for their stereospecific preparation GIST-BROCADES N.V. (NL) 1990-05-16 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 (2 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-20240307362-A1 4H-PYRROLO[3,2-c]PYRIDIN-4-ONE COMPOUNDS CYP4B1, CYP2C19, CYP3A4 GPR35 3962/4885TDP1 2655/4885TSHR 1782/4885
US-20070054912-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 GPR35 170/4885TDP1 1721/4885TSHR 82/4885

“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.