SCHEMBL7435276

SCHEMBL7435276

CC(I)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
ACHE P22303 1/20 0.41
AOC3 Q16853 2/20 0.38
DAO P14920 1/20 0.37
HTT P42858 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CYP17A1 P05093 1/20 0.36
TRPA1 O75762 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL2857448 0.85 ESR1 (0.38) HTTTRPA1
SCHEMBL18700118 0.77 TYR (0.46) IDO1HTTTRPA1ALDH1A1GAA
SCHEMBL84956 0.77 IDO1 (0.46) IDO1TDO2ACHEAOC3DAO
SCHEMBL7893366 0.77 ESR1 (0.52) IDO1TDO2ACHEAOC3DAO
SCHEMBL12027408 0.77 IDO1 (0.46) IDO1TDO2ACHEAOC3DAO
SCHEMBL24838557 0.77 TYR (0.46) IDO1HTTTRPA1ALDH1A1GAA
SCHEMBL21840890 0.74 IDO1 (0.44) IDO1TDO2ACHEAOC3DAO
SCHEMBL24127908 0.74 ACHE (0.47) ACHEMAOAMAOBALDH1A1GAA
Ammonia Solution, Strong SCHEMBL7995946 0.74 ESR1 (0.50) IDO1TDO2ACHEAOC3DAO
SCHEMBL7434382 0.74 ACHE (0.47) ACHEMAOAMAOBALDH1A1GAA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219453-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-08-02 EP disclosed
US-20180155279-A1 ARYL ETHERS AND USES THEREOF PELOTON THERAPEUTICS, INC. 2018-06-07 US disclosed
US-20110257163-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-10-20 US disclosed
US-20110257163-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-10-20 US disclosed
WO-2009020579-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-02-12 WO disclosed
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
CN-1119014-A Benzopyranes as potassium channel openers PFIZER LTD (GB) 1996-03-20 CN disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 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 (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-20180155279-A1 ARYL ETHERS AND USES THEREOF HIF1AN, EGLN2, VHL IDO1 1555/4885TDO2 539/4885ACHE 4882/4885
US-20110257163-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 IDO1 4454/4885TDO2 4772/4885ACHE 17/4885

“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.