SCHEMBL411890

SCHEMBL411890

OCc1cc(I)c(O)c(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.36
S1PR4 O95977 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
PDXK O00764 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
APP P05067 1/20 0.33
CYP1A2 P05177 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
SLC6A2 P23975 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL8571001 0.84 TTR (0.33) TTRKDM4EALDH1A1HPGDMEN1
SCHEMBL28309412 0.78 TTR (0.34) TTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1602573 0.76 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10MEN1CYP3A4
SCHEMBL24568238 0.76 TTR (0.40) TTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL31085043 0.75 KEAP1 (0.33) S1PR4KDM4EALDH1A1HPGDPDXK
SCHEMBL21306836 0.75 SHBG (0.38) TTRS1PR4KDM4EALDH1A1HPGD
SCHEMBL9973785 0.75 CYP3A4 (0.36) TTRS1PR4KDM4EALDH1A1HPGD
SCHEMBL16517376 0.73 KDM4E (0.36) S1PR4KDM4EALDH1A1CYP1A2MAPT
SCHEMBL411440 0.71 BPTF (0.37) S1PR4KDM4EALDH1A1HPGDLMNA
SCHEMBL5917844 0.71 PDXK (0.33) S1PR4KDM4EALDH1A1HPGDPDXK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110753690-B Pyridine derivatives 豪夫迈·罗氏有限公司 2023-12-05 CN disclosed
EP-3642200-B1 PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-03 EP disclosed
EP-3642200-B1 PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-03 EP disclosed
US-20220363640-A1 ANTIVIRAL COMPOUNDS Janssen Biopharma, Inc. (US) 2022-11-17 US disclosed
CN-114716426-A Antiviral compounds 詹森生物制药有限公司 2022-07-08 CN disclosed
CN-105636936-B Antiviral compounds 詹森生物制药有限公司 2022-04-05 CN disclosed
US-20220064178-A1 PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2022-03-03 US disclosed
US-20220064178-A1 PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2022-03-03 US disclosed
US-11117903-B2 Pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2021-09-14 US disclosed
US-11117903-B2 Pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2021-09-14 US disclosed
US-20030130305-A1 Azabicyclic-phenyl-fused-heterocyclic compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-07-10 US disclosed
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-06-05 US disclosed
WO-2003042210-A1 AZABICYCLIC-PHENYL-FUSED-HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALPHA7 NACHR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-05-22 WO disclosed
WO-2003037896-A1 N-AZABICYCLO-SUBSTITUTED HETERO-BICYCLIC CARBOXAMIDES AS NACHR AGONISTS PHARMACIA & UPJOHN COMPANY (US) 2003-05-08 WO disclosed
US-20030073707-A1 Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-17 US disclosed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 WO disclosed
WO-2003022856-A1 SUBSTITUTED 7-AZA[2.2.1] BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN COMPANY (US) 2003-03-20 WO disclosed
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-03-06 US disclosed
WO-2002100857-A1 QUINUCLIDINES-SUBSTITUTED-MULTI-CYCLIC-HETEROARYLS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 WO disclosed
WO-2002100858-A2 QUINUCLIDINE-SUBSTITUTED HETEROAROMATIC COMPOUNDS AS LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS PHARMACIA & UPJOHN COMPANY (US) 2002-12-19 WO 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 (7 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-20030130305-A1 Azabicyclic-phenyl-fused-heterocyclic compounds for treatment of disease TPMT, PAICS, MALT1 TTR 1693/4885S1PR4 1241/4885KDM4E 1516/4885
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease CHRNA7, CHRNA1, CHRNA6 TTR 3236/4885S1PR4 1498/4885KDM4E 1290/4885
US-20030073707-A1 Quinuclidine-substituted hetero-bicyclic aromatic compounds for the treatment of disease NAT1, UGT1A1, SLC10A1 TTR 2381/4885S1PR4 3871/4885KDM4E 3540/4885
US-20030045540-A1 Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease NQO2, SLC10A1, CYP7A1 TTR 2792/4885S1PR4 3351/4885KDM4E 4297/4885
US-20220363640-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 TTR 4331/4885S1PR4 1646/4885KDM4E 3737/4885
US-20220064178-A1 PYRIDINE DERIVATIVES NDUFS6, NDUFS3, CYP11B2 TTR 3861/4885S1PR4 1166/4885KDM4E 1500/4885
US-11117903-B2 Pyridine derivatives NDUFS6, NDUFS3, CYP11B2 TTR 3861/4885S1PR4 1166/4885KDM4E 1500/4885

“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.