SCHEMBL55401

SCHEMBL55401

O=CNOc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.42
LTA4H P09960 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH7 P40394 1/20 0.38
CA4 P22748 1/20 0.36
CYP2A6 P11509 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
SRC P12931 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
Hydrochloric Acid SCHEMBL11627153 0.98 TSHR (0.42) TSHRALDH1A1LTA4HLMNAGAA
SCHEMBL28802206 0.76 ALDH1A1 (0.44) TSHRALDH1A1GAAKMT2AKDM4E
SCHEMBL54705 0.76 HSD17B10 (0.41) LMNAKMT2ACYP2A6DRD2DRD4
SCHEMBL11421515 0.75 LTA4H (0.39) TSHRALDH1A1LTA4HLMNAGAA
SCHEMBL21364389 0.72 ST14 (0.45) CA4CA1CA2CA9
SCHEMBL9747855 0.72 TSHR (0.38) TSHRALDH1A1LTA4HLMNAGAA
SCHEMBL29013343 0.72 CA1 (0.44) TSHRALDH1A1LMNAKMT2ACA1
SCHEMBL9644264 0.71 CA4 (0.39) TSHRLTA4HCA4KCNA3
SCHEMBL29020559 0.70 DRD4 (0.50) TSHRALDH1A1GAAKMT2ADRD2
SCHEMBL11509363 0.70 SRC (0.45) TSHRLMNAKMT2ASRCKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118939-A Preparation method of 1, 2-benzisoxazole 广东工业大学 2024-12-13 CN claimed
CN-117344131-A Composite extraction system and extraction method for extracting lithium from lithium-containing brine 浙江恒锂新能源有限公司 2024-01-05 CN claimed
CN-114585699-A Self-stopping polishing composition and method CMC材料股份有限公司 2022-06-03 CN claimed
CN-109851599-B Preparation method of 2-aminobenzofuran compound 青岛科技大学 2022-03-08 CN claimed
CN-108026412-A Method and composition for processing dielectric substrate 嘉柏微电子材料股份公司 2018-05-11 CN claimed
US-8557801-B2 Compounds and compositions useful for the treatment of parasitic diseases IRM LLC (BM) 2013-10-15 US claimed
CN-102631977-A Beneficiation method for ultrafine fraction cassiterite GUANGZHOU RES INST NON FERROUS METALS 2012-08-15 CN claimed
EP-2451814-A2 FUSED IMIDAZOLES AND COMPOSITIONS COMPRISING THEM FOR THE TREATMENT OF PARASITIC DISEASES, SUCH AS E.G. MALARIA IRM LLC (BM) 2012-05-16 EP claimed
EP-1614418-B1 use of(-)(3-trihalomethylphenoxy) (4-halophenyl)acetic acid derivatives for treatment of hyperuricaemia METABOLEX INC (US) 2011-09-14 EP claimed
US-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-03-10 US claimed
CN-1636001-A 2-amino-4-bicycloamino-6H-1, 3, 5-triazines, method for the production thereof and use thereof as herbicides and plant growth regulators BAYER CROPSCIENCE GMBH (DE) 2005-07-06 CN claimed
US-6737429-B2 TREATMENT OF HIV MEDIATED DISEASES. HOFFMANN-LA ROCHE INC. 2004-05-18 US claimed
CN-1430599-A Phenylglycine derivatives HOFFMANN LA ROCHE (CH) 2003-07-16 CN claimed
EP-1301481-A1 PYRROLE DERIVATIVES FOR TREATING AIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-16 EP claimed
US-20020032221-A1 Pyrrole derivatives ROCHE PRODUCTS LIMITED (GB) 2002-03-14 US claimed
WO-2002002524-A1 PYRROLE DERIVATIVES FOR TREATING AIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-10 WO claimed
EP-0562512-B1 Sulfonamidocarbonylpyridine-2-carboxamides and their use as medicines HOECHST AG (DE) 2001-02-21 EP claimed
EP-0705835-A1 Quinoxalic-2,3-diones with an oxa or thiaheterocyclic fused ring CIBA-GEIGY AG (CH) 1996-04-10 EP claimed
US-5260446-A Azo dye precursors BASF AKTIENGESELLSCHAFT (DE) 1993-11-09 US claimed
CN-88103601-A N-PHENYLPYRAZOLE DERIVATIVES 1988-12-28 CN claimed

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-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES SQLE, SGMS2, FDPS TSHR 4657/4885ALDH1A1 1414/4885LTA4H 107/4885
US-20020032221-A1 Pyrrole derivatives PYCR1, SARS1, MAVS TSHR 4743/4885ALDH1A1 2902/4885LTA4H 2649/4885

“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.