SCHEMBL3365496

SCHEMBL3365496

O=C(O)Cc1ccc(Cl)cc1I

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
CXCL8 P10145 1/20 0.46
CYP2C9 P11712 1/20 0.46
CHRM1 P11229 1/20 0.46
CAMK2A Q9UQM7 5/20 0.43
GRIK1 P39086 1/20 0.43
MAPT P10636 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AKR1B1 P15121 1/20 0.39

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
SCHEMBL17429595 0.85 KEAP1 (0.50) KEAP1NFE2L2CXCL8CYP2C9CHRM1
SCHEMBL16041940 0.82 KEAP1 (0.54) KEAP1NFE2L2CXCL8CYP2C9CHRM1
SCHEMBL5429266 0.81 FFAR1 (0.49) MAPT
SCHEMBL2394432 0.80 KEAP1 (0.53) KEAP1NFE2L2CXCL8CYP2C9CHRM1
SCHEMBL260512 0.80 CHRM1 (0.57) KEAP1NFE2L2CXCL8CYP2C9CHRM1
SCHEMBL29419329 0.80 CHRM1 (0.57) KEAP1NFE2L2CXCL8CYP2C9CHRM1
SCHEMBL27748507 0.79 MAPT (0.43) MAPT
Hydrochloric Acid SCHEMBL2532568 0.78 CHRM1 (0.55) KEAP1NFE2L2CXCL8CYP2C9CHRM1
SCHEMBL5419084 0.78 KMT2A (0.40) CYP2C9
SCHEMBL4943725 0.77 ABCB11 (0.43) CAMK2AGRIK1MAPTAKR1B1

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
US-8324235-B2 Heterocyclic spiro-compounds NOVARTIS AG (CH) 2012-12-04 US disclosed
EP-2134720-B1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2010-10-13 EP disclosed
US-20100144774-A1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2010-06-10 US disclosed
CN-101711252-A heterocyclic spiro-compounds NOVARTIS AG 2010-05-19 CN disclosed
EP-2134720-A1 HETEROCYCLIC SPIRO-COMPOUNDS Novartis Ag (CH) 2009-12-23 EP disclosed
US-20080255150-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-10-16 US disclosed
WO-2008119744-A1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2008-10-09 WO disclosed
EP-1948630-A2 NOVEL COMPOUNDS AstraZeneca AB (SE) 2008-07-30 EP disclosed
WO-2007052023-A2 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-05-10 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-20080255150-A1 Novel Compounds CFTR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B2 KEAP1 130/4885NFE2L2 398/4885CXCL8 2357/4885
US-20100144774-A1 HETEROCYCLIC SPIRO-COMPOUNDS REN, NR3C2, CYP21A2 KEAP1 595/4885NFE2L2 1617/4885CXCL8 3622/4885

“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.