SCHEMBL615996

SCHEMBL615996

CCNN=C(C(=O)O)C(=O)c1sccc1F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.34
KMT2A Q03164 3/20 0.33
PKM P14618 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
ALDH1A1 P00352 4/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
DHODH Q02127 2/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL616880 0.83 MAPT (0.38) ABCC1KMT2APKMPTPN2PTPN1
SCHEMBL3784299 0.76 BCAT2 (0.33) PTPN2PTPN1
SCHEMBL3780571 0.76 BCAT2 (0.33) PTPN2PTPN1
SCHEMBL615994 0.69 PKM (0.38) KMT2APKMALDH1A1MAPTMEN1
SCHEMBL615995 0.69 PKM (0.38) KMT2APKMALDH1A1MAPTMEN1
SCHEMBL617606 0.66
SCHEMBL27774647 0.64 GSK3B (0.41) ABCC1KMT2APKMALDH1A1MAPT
SCHEMBL15693485 0.64
SCHEMBL13919867 0.63 MAPT (0.56) KMT2APKMALDH1A1MAPTMEN1
SCHEMBL20598702 0.63 ALDH1A1 (0.49) KMT2APKMALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293744-B2 Heterocyclic fused cinnoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 US disclosed
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 ABCC1 3484/4885KMT2A 2415/4885PKM 3977/4885

“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.