SCHEMBL3545988

SCHEMBL3545988

COc1ccc(I)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
GAA P10253 1/20 0.44
ACHE P22303 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
HTT P42858 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 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
SCHEMBL31229124 1.00 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL19154086 0.83 KMT2A (0.39) GAAKDM4EALDH1A1MEN1MAPT
SCHEMBL13368988 0.83 DYRK1A (0.50) CA12CA1CA2CA7CA9
SCHEMBL3459253 0.81 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL30548757 0.80 CA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL4992020 0.80 CA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL7121378 0.78 CA1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL20888466 0.77 KMT2A (0.47) HTTALDH1A1MEN1MAPTGFER
SCHEMBL19011493 0.77 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL29352597 0.77 CA12 (0.53) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108863894-B Method for directly synthesizing indole from nitrile 中国科学技术大学 2020-08-14 CN claimed
US-20230271953-A1 Novel compounds for treatment of diseases related to DUX4 expression Facio Intellectual Property B.V. (NL) 2023-08-31 US disclosed
US-10934486-B2 Liquid crystal composition, liquid crystal mixture, reverse-mode polymer dispersed liquid crystal element, and associated selectively dimmable device NITTO DENKO CORPORATION (JP) 2021-03-02 US disclosed
EP-3239134-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2020-12-23 EP disclosed
CN-108863894-B Method for directly synthesizing indole from nitrile 中国科学技术大学 2020-08-14 CN disclosed
US-20190233728-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL MIXTURE, REVERSE-MODE POLYMER DISPERSED LIQUID CRYSTAL ELEMENT, AND ASSOCIATED SELECTIVELY DIMMABLE DEVICE NITTO DENKO CORPORATION (JP) 2019-08-01 US disclosed
EP-3067351-B1 COMPOUND HAVING HIGHER INHIBITION OF PROTEIN KINASE G ACTIVITY AND PREPARATION METHOD THEREFOR JENKEM TECH CO LTD TIANJIN (CN) 2019-02-06 EP disclosed
WO-2018068023-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL MIXTURE, REVERSE-MODE POLYMER DISPERSED LIQUID CRYSTAL ELEMENT, AND ASSOCIATED SELECTIVELY DIMMABLE DEVICE NITTO DENKO CORPORATION (JP) 2018-04-12 WO disclosed
US-9925171-B2 Compound having higher inhibitory activity on protein kinase G and preparation method thereof Jenkem Technology Co., Ltd., (Tianjin) (CN) 2018-03-27 US disclosed
EP-3239134-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2017-11-01 EP disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-2311455-B1 Compounds for nonsense suppression, and methods for their use PTC THERAPEUTICS INC (US) 2015-07-15 EP disclosed
EP-2301538-B1 Compounds for nonsense suppression, and methods for their use PTC THERAPEUTICS INC (US) 2015-05-20 EP disclosed
US-7732463-B2 4-(2-phenylsulfanyl-phenyl)-piperidine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2010-06-08 US disclosed
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-06-07 US disclosed
US-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders H.LUNDBECK A/S (DK) 2006-05-11 US disclosed
EP-1626720-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2006-02-22 EP disclosed
WO-2004087156-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2004-10-14 WO disclosed
EP-0572986-B1 Assay for serum cholinesterase JOHNSON & JOHNSON CLIN DIAG (US) 1996-08-28 EP disclosed
EP-0572986-A1 Assay for serum cholinesterase Johnson & Johnson Clinical Diagnostics, Inc. (US) 1993-12-08 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-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders HTR4, HTR5A, TPH1 CA12 3931/4885CA1 2829/4885CA2 3285/4885
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 HSP90AB1, HSP90AA1, HSP90AB2P CA12 4857/4885CA1 4522/4885CA2 4080/4885
US-20230271953-A1 Novel compounds for treatment of diseases related to DUX4 expression UTRN, ZFX, CBX6 CA12 4671/4885CA1 4813/4885CA2 4205/4885

“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.