SCHEMBL535657

SCHEMBL535657

C[C@H](O)c1ccccc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRB2 P47870 2/20 0.41
CYP3A4 P08684 3/20 0.37
SLC6A2 P23975 3/20 0.37
KCNH2 Q12809 3/20 0.37
CYP2D6 P10635 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
HTR2C P28335 3/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
HIF1A Q16665 2/20 0.37
FAAH O00519 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
GABRB1 P18505 1/20 0.37

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
SCHEMBL4419612 1.00 GABRA1 (0.41) GABRA1GABRB2CYP3A4SLC6A2KCNH2
SCHEMBL1741996 1.00 GABRA1 (0.41) GABRA1GABRB2CYP3A4SLC6A2KCNH2
SCHEMBL11606150 0.81 CYP3A4 (0.44) GABRA1GABRB2CYP3A4SLC6A2KCNH2
SCHEMBL29528605 0.81 CYP3A4 (0.42) GABRA1GABRB2CYP3A4SLC6A2KCNH2
SCHEMBL251913 0.81 CYP3A4 (0.42) GABRA1GABRB2CYP3A4SLC6A2KCNH2
SCHEMBL251914 0.81 CYP3A4 (0.42) GABRA1GABRB2CYP3A4SLC6A2KCNH2
SCHEMBL253024 0.81 CYP3A4 (0.42) GABRA1GABRB2CYP3A4SLC6A2KCNH2
SCHEMBL253023 0.81 CYP3A4 (0.42) GABRA1GABRB2CYP3A4SLC6A2KCNH2
SCHEMBL28449368 0.81 GABRA1 (0.39) GABRA1GABRB2CYP3A4SLC6A2HTR2C
SCHEMBL29528763 0.81 CYP3A4 (0.42) GABRA1GABRB2CYP3A4SLC6A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4655291-A2 N-SUBSTITUTED INDAZOLE SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS BACKGROUND Merck Sharp & Dohme LLC (US) 2025-12-03 EP disclosed
WO-2024158653-A2 N-SUBSTITUTED INDAZOLE SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS BACKGROUND MERCK SHARP & DOHME LLC (US) 2024-08-02 WO disclosed
EP-2770995-B1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME (US) 2019-01-02 EP disclosed
EP-2770995-B1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME (US) 2019-01-02 EP disclosed
EP-2822953-B9 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES PFIZER (US) 2017-06-21 EP disclosed
US-9624208-B2 Benzoxazolinone compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2017-04-18 US disclosed
US-9624208-B2 Benzoxazolinone compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2017-04-18 US disclosed
US-9624208-B2 Benzoxazolinone compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2017-04-18 US disclosed
WO-2017032887-A1 METHOD FOR PRODUCING SILICONIZED, W/O PICKERING EMULSION-FORMING PARTICLES, AND USE THEREOF Technische Universität Dresden (DE) 2017-03-02 WO disclosed
EP-2822953-B1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES PFIZER (US) 2017-02-01 EP disclosed
US-7217740-B2 Diarylsulfones as 5-HT2A antagonists MERCK SHARP AND DOHME 2007-05-15 US disclosed
WO-2007036570-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2007-04-05 WO disclosed
WO-2007020221-A2 AMINO-PHOSPHINOALKYL-FERROCENES AND THEIR USE AS LIGANDS IN CATALYSTS FOR ASYMMETRIC REACTIONS SOLVIAS AG (CH) 2007-02-22 WO disclosed
WO-2006068879-A1 TETRADENTATE LIGANDS AND METAL COMPLEXES THEREOF FOR ASYMMETRIC CATALYSIS EASTMAN CHEMICAL COMPANY (US) 2006-06-29 WO disclosed
WO-2006046062-A1 PROCESS FOR THE DE-ENRICHMENT OF ENANTIOMERICALLY ENRICHED SUBSTRATES AVECIA PHARMACEUTICALS LIMITED (GB) 2006-05-04 WO disclosed
US-20060052445-A1 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-03-09 US disclosed
WO-2006021806-A1 ARYLSULPHONYLSTILBENE DERIVATIVES FOR TREATMENT OF INSOMNIA AND RELATED CONDITIONS MERCK SHARP & DOHME LIMITED (GB) 2006-03-02 WO disclosed
WO-2006021805-A1 DIARYLSULFONES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-03-02 WO disclosed
EP-1222163-A1 2'-SUBSTITUTED 1,1'-BIPHENYL-2-CARBONAMIDES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID COMPOUNDS Aventis Pharma Deutschland GmbH (DE) 2002-07-17 EP disclosed
WO-2001025189-A1 2'-SUBSTITUTED 1,1'-BIPHENYL-2-CARBONAMIDES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-04-12 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 (1 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-20060052445-A1 Diarylsulfones as 5-HT2A antagonists HTR2A, HTR2B, HTR1A GABRA1 381/4885GABRB2 322/4885CYP3A4 598/4885

“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.