SCHEMBL616879

SCHEMBL616879

CCOC(=O)C(=NN)C(=O)c1sccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.40
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 1/20 0.40
PKM P14618 3/20 0.38
GAA P10253 4/20 0.38
MAPT P10636 4/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 3/20 0.37
NPSR1 Q6W5P4 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
OPRM1 P35372 1/20 0.35
GSK3B P49841 1/20 0.35
MAPK1 P28482 2/20 0.34
ATM Q13315 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 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
SCHEMBL616878 1.00 ABCB1 (0.40) ABCB1ALDH1A1KMT2AHTTPKM
SCHEMBL10164979 0.86 PKM (0.44) ALDH1A1KMT2APKMGAAMAPT
SCHEMBL7043180 0.84 ALDH1A1 (0.46) ALDH1A1KMT2AHTTPKMGAA
SCHEMBL615995 0.84 PKM (0.38) ALDH1A1KMT2APKMGAAMAPT
SCHEMBL615994 0.84 PKM (0.38) ALDH1A1KMT2APKMGAAMAPT
SCHEMBL3788559 0.78 MAPT (0.41) ALDH1A1KMT2AHTTPKMGAA
SCHEMBL3788560 0.78 MAPT (0.41) ALDH1A1KMT2AHTTPKMGAA
SCHEMBL617331 0.76 ALDH1A1 (0.40) ALDH1A1KMT2AHTTPKMGAA
SCHEMBL13193377 0.76 ALDH1A1 (0.44) ALDH1A1KMT2AHTTPKMGAA
SCHEMBL240151 0.75 ALDH1A1 (0.49) ALDH1A1KMT2AHTTPKMGAA

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
US-8293744-B2 Heterocyclic fused cinnoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 US 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 ABCB1 2025/4885ALDH1A1 1911/4885KMT2A 2415/4885

“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.