SCHEMBL618026

SCHEMBL618026

CCc1csc2c(=O)c(C(=O)O)nn(Cc3ccc(I)cc3)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
ADORA1 P30542 1/20 0.33
PFKFB3 Q16875 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
POLB P06746 2/20 0.31
PKM P14618 2/20 0.31
GAA P10253 1/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
HPGD P15428 1/20 0.31
MCL1 Q07820 1/20 0.31
CYP2C9 P11712 1/20 0.31
PPARG P37231 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
SCHEMBL617722 0.88 PTGDR2 (0.31) MEN1KMT2AADORA1PFKFB3PTGDR2
SCHEMBL3712434 0.78 CYP2C9 (0.36) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL699556 0.77 FEN1 (0.39) KMT2APKMMCL1
SCHEMBL14875342 0.70 CYP2C9 (0.34) MEN1KMT2ATSHRPMP22PTGDR2
SCHEMBL617723 0.67 MCL1 (0.36) MEN1KMT2ATSHRPMP22GRN
SCHEMBL15204264 0.67 FEN1 (0.38) MCL1
SCHEMBL3712433 0.62 PDE4A (0.44) MEN1KMT2AALDH1A1LMNAADORA1
SCHEMBL8305385 0.61
SCHEMBL3086853 0.60 PTGDR2 (0.47) LMNAPTGDR2POLBCYP2C9
SCHEMBL9980879 0.59 PTGER4 (0.58) MEN1KMT2AALDH1A1LMNATSHR

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-2421366-A1 HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2012-02-29 EP disclosed
US-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2012-02-16 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-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators CHRM1, CNR1, CHRNA7 MEN1 710/4885KMT2A 2415/4885ALDH1A1 1911/4885

“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.