SCHEMBL4237398

SCHEMBL4237398

N#Cc1ccc(NC(C(=O)NCCc2ccccc2)(c2ccccc2)C(F)(F)C(=O)OF)nc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.42
HPGD P15428 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
OPRM1 P35372 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EP300 Q09472 9/20 0.38
CCNK O75909 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
GLA P06280 1/20 0.36
ACACB O00763 1/20 0.35
PIK3C2A O00443 1/20 0.35
MLYCD O95822 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
SCHEMBL4222280 0.88 CNR1 (0.36) HPGDEP300CCNKCCNA2CDK2
SCHEMBL4227771 0.83 CCNK (0.40) OPRM1CCNKCCNA2CDK2CDK12
SCHEMBL4228168 0.75 CCR6 (0.40)
SCHEMBL4232751 0.70
Trifluoroacetic Acid SCHEMBL4237396 0.69 EP300 (0.52) EP300
SCHEMBL4233785 0.66 MTNR1A (0.52) HPGD
SCHEMBL3539266 0.64 CNR1 (0.53) ABCB1HPGDABCG2
SCHEMBL11782431 0.63 MLYCD (0.56) MLYCD
SCHEMBL3833319 0.62 MLYCD (0.62) MLYCD
SCHEMBL6602168 0.62 MEN1 (0.53) MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2096104-A1 Organic diamines as mGluR7 modulators Novartis AG (CH) 2009-09-02 EP disclosed
US-20080242698-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US 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 (1 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-20080242698-A1 Organic Compounds AOC1, OTC, ODC1 ABCB1 264/4885HPGD 1276/4885ABCG2 191/4885

“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.