SCHEMBL25301435

SCHEMBL25301435

CSc1cc(Cl)ccc1-c1ccc(C2CN(C(=O)O)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PRKAB2 O43741 4/20 0.37
PRKAG1 P54619 4/20 0.37
PRKAA2 P54646 4/20 0.37
PRKAA1 Q13131 4/20 0.37
PRKAG3 Q9UGI9 4/20 0.37
PRKAG2 Q9UGJ0 4/20 0.37
PRKAB1 Q9Y478 4/20 0.37
PROKR1 Q8TCW9 6/20 0.37
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
APP P05067 1/20 0.34
SERPINE1 P05121 1/20 0.34
SRD5A2 P31213 1/20 0.34
NPC1 O15118 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
SCHEMBL25301240 0.84 USP30 (0.41) MGLLLMNATP53MAPTCNR1
SCHEMBL25296236 0.81 FASN (0.50) MGLLPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL25295004 0.80 PTGDR2 (0.44) MGLLPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL23453444 0.77 SMN1; SMN2 (0.49) ALDH1A1PROKR1NPC1LMNATP53
SCHEMBL25944457 0.77 HTR3A (0.41) NPSR1ALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL25259801 0.72 PRKAB2 (0.42) MGLLPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL23211920 0.71 SCD5 (0.41) MGLLPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL23150548 0.70 CYP3A4 (0.48) ALDH1A1CYP3A4CYP2C9APPNPC1
SCHEMBL2732137 0.69 MGLL (0.44) MGLLPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL18585817 0.68 HSD11B1 (0.53) NPSR1ALDH1A1NPC1LMNATP53

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-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 EP 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-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY MGLL 996/4885NPSR1 2057/4885ALDH1A1 1218/4885

“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.