SCHEMBL4608241

SCHEMBL4608241

ClCc1ccc(Cl)cc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.37
HIF1A Q16665 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX15 P16050 2/20 0.37
SLC22A1 O15245 1/20 0.37
USP2 O75604 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSPD1 P10809 1/20 0.37
HSPA5 P11021 1/20 0.37
HPGD P15428 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
SCHEMBL31454441 1.00 IDO1 (0.41) IDO1CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL4703980 0.81 CYP3A4 (0.41) IDO1CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL31454434 0.79 IDO1 (0.41) IDO1CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL4280341 0.79 IDO1 (0.40) IDO1CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL2997812 0.79 CYP2A6 (0.44) IDO1CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL1197989 0.79 IDO1 (0.41) IDO1CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL1995097 0.79 IDO1 (0.40) IDO1CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL1539432 0.77 IDO1 (0.46) IDO1CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL3366516 0.76 IDO1 (0.38) IDO1CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL283639 0.75 IDO1 (0.62) IDO1CYP3A4CYP2C9MAPK1CYP2C19

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-3854789-A1 MACROCYCLIC COMPOUNDS USEFUL AS CHITINASE INHIBITORS CYGNET BIOSCIENCES B.V. (CW) 2021-07-28 EP disclosed
CN-101356164-A Novel compounds ASTRAZENECA AB (SE) 2009-01-28 CN disclosed
US-20080255150-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-10-16 US disclosed
EP-1948630-A2 NOVEL COMPOUNDS AstraZeneca AB (SE) 2008-07-30 EP disclosed
US-20070249686-A1 Modulators of Crth-2 Receptor Activity for the Treatment of Prostaglandin D2 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US disclosed
CN-101035774-A Modulators of CRTH-2 receptor activity for the treatment of prostaglandin D2 mediated diseases ASTRAZENECA AB (SE) 2007-09-12 CN disclosed
EP-1799658-A2 MODULATORS OF CRTH2 REZEPTOR ACTIVITY FOR THE TREATMENT OF PROSTAGLANDIN D2 MEDIATED DISEASES AstraZeneca AB (SE) 2007-06-27 EP disclosed
WO-2007052023-A2 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-05-10 WO disclosed
WO-2006037982-A2 MODULATORS OF CRTH2 RECEPTOR ACTIVITY FOR THE TREATMENT OF PROSTAGLANDIN D2 MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-04-13 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-20070249686-A1 Modulators of Crth-2 Receptor Activity for the Treatment of Prostaglandin D2 Mediated Diseases PTGDR2, PTGDR, PTGER2 IDO1 3349/4885CYP3A4 2766/4885CYP2C9 2328/4885
US-20080255150-A1 Novel Compounds CFTR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B2 IDO1 1120/4885CYP3A4 23/4885CYP2C9 57/4885

“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.