SCHEMBL347645

SCHEMBL347645

Cc1ccc(-n2nc(-c3ccccc3Cl)c3cc(C(=O)O)ccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
RORC P51449 7/20 0.53
DGAT2 Q96PD7 10/20 0.52
RARG P13631 3/20 0.51

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
SCHEMBL348428 0.91 DGAT2 (0.62) MEN1KMT2ADGAT2
SCHEMBL346686 0.88 DGAT2 (0.56) MEN1KMT2ADGAT2
SCHEMBL20166434 0.80 DGAT2 (0.73) DGAT2
SCHEMBL346584 0.80 DGAT2 (0.65) DGAT2
SCHEMBL348115 0.78 DGAT2 (0.67) DGAT2
SCHEMBL13187394 0.76 DGAT2 (0.52) DGAT2
SCHEMBL730542 0.74 HTT (0.58) MEN1KMT2ARORCRARG
SCHEMBL347945 0.73 DGAT2 (0.54) MEN1KMT2ARORCDGAT2
SCHEMBL20166461 0.73 DGAT2 (0.53) DGAT2
SCHEMBL4486680 0.72 KMT2A (1.00) MEN1KMT2A

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 5 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
EP-2411001-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed
WO-2010111060-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO 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 MEN1 4860/4885KMT2A 4191/4885RORC 2239/4885

“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.