SCHEMBL346757

SCHEMBL346757

Cc1ccc(-n2nc(Br)c3ccc(C(=O)N[C@H](C)c4nc(C)no4)cc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 15/20 0.53
RIPK1 Q13546 1/20 0.48
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL347954 0.86 RIPK1 (0.53) DGAT2RIPK1TP53SMN1; SMN2TDP1
SCHEMBL366640 0.83 DGAT2 (0.59) DGAT2RIPK1
SCHEMBL348096 0.83 DGAT2 (0.59) DGAT2RIPK1
SCHEMBL347038 0.83 DGAT2 (0.76) DGAT2
SCHEMBL348115 0.77 DGAT2 (0.67) DGAT2
SCHEMBL347937 0.74 SLC22A12 (0.43) SMN1; SMN2
SCHEMBL346684 0.74 DGAT2 (0.45) DGAT2RIPK1
SCHEMBL348252 0.74 TDP1 (0.46) DGAT2TDP1MAPTHPGD
SCHEMBL348124 0.72 DGAT2 (0.43) DGAT2RIPK1SMN1; SMN2MAPTHPGD
SCHEMBL21536789 0.69 DGAT2 (1.00) DGAT2

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
EP-2411001-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2018-01-17 EP disclosed
US-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 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-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 DGAT2 3948/4885RIPK1 1331/4885TP53 4726/4885

“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.