SCHEMBL5643242

SCHEMBL5643242

Cc1cc(Cl)cc(CO)c1N

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 3/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 3/20 0.34
SHBG P04278 1/20 0.34
GAA P10253 1/20 0.34
SCN4A P35499 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTT P42858 1/20 0.33
CD44 P16070 1/20 0.32
PDK2 Q15119 1/20 0.32
POLB P06746 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL11175266 0.81 HTT (0.49) ATP4AATP4BALDH1A1CYP3A4TP53
Hydrochloric Acid SCHEMBL6476009 0.79 ATP4A (0.39) ATP4AATP4BALDH1A1CYP3A4TP53
Hydrochloric Acid SCHEMBL11178447 0.79 ALDH1A1 (0.47) ATP4AATP4BALDH1A1CYP3A4TP53
SCHEMBL24104236 0.78 CYP3A4 (0.41) ALDH1A1CYP3A4TSHRMAPTSHBG
SCHEMBL24458094 0.78 SHBG (0.36) CYP3A4MAPTSHBGSCN4ACYP1A2
SCHEMBL1646519 0.78 ALOX15 (0.37) ALDH1A1CYP3A4TP53TSHRTDP1
SCHEMBL30961933 0.78 KDM4E (0.45) ATP4AATP4BALDH1A1CYP3A4TP53
SCHEMBL30961935 0.78 KDM4E (0.45) ATP4AATP4BALDH1A1CYP3A4TP53
SCHEMBL29241765 0.78 KDM4E (0.45) ATP4AATP4BALDH1A1CYP3A4TP53
SCHEMBL30961934 0.78 KDM4E (0.45) ATP4AATP4BALDH1A1CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116730977-A Novel aryl heterocyclic compound, and preparation method and application thereof 华东理工大学 2023-09-12 CN disclosed
CN-115160305-A Amide compound containing 4, 5-dihydroisoxazole, salt thereof, preparation method and application 华东理工大学 2022-10-11 CN disclosed
WO-2012164085-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-12-06 WO disclosed
US-7259266-B2 Benzopyran compounds useful for treating inflammatory conditions PHARMACIA CORPORATION (US) 2007-08-21 US disclosed
EP-1631562-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS Pharmacia Corporation (US) 2006-03-08 EP disclosed
EP-1615905-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS Pharmacia Corporation (US) 2006-01-18 EP disclosed
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
US-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions CARTER JEFFERY (US) 2005-07-07 US disclosed
WO-2004087687-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS PHARMACIA CORPORATION (US) 2004-10-14 WO disclosed
WO-2004087686-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS PHARMACIA CORPORATION (US) 2004-10-14 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-20050148777-A1 Benzopyran compounds useful for treating inflammatory conditions PTGES2, PTGER2, PTGS2 ATP4A 3063/4885ATP4B 4587/4885ALDH1A1 560/4885
US-20050148627-A1 Benzopyran compounds for use in the treatment and prevention of inflammation related conditions PTGES2, PTGER2, PTGES ATP4A 3458/4885ATP4B 4683/4885ALDH1A1 422/4885

“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.