SCHEMBL15464422

SCHEMBL15464422

CSCCCOc1cc(C)c(Br)c(C)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
THRB P10828 1/20 0.35
IKBKB O14920 3/20 0.34
MKNK1 Q9BUB5 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL13213422 0.79 THRB (0.47) KMT2ATHRBIKBKB
SCHEMBL14853028 0.76 SMN1; SMN2 (0.36) NPC1RAB9ASMN1; SMN2
SCHEMBL15464880 0.76 MKNK1 (0.33) KMT2AIKBKBMKNK1MEN1NPC1
SCHEMBL15464451 0.76 MKNK1 (0.38) IKBKBMKNK1
SCHEMBL204295 0.75 ALDH1A1 (0.41) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL13117390 0.74 ALOX5 (0.34) KMT2ATHRBMEN1SMN1; SMN2
SCHEMBL9935004 0.74 VDR (0.34) KMT2ATHRB
SCHEMBL13117391 0.74 ALOX5 (0.34) KMT2ATHRBMEN1SMN1; SMN2
SCHEMBL13117388 0.73 HTT (0.40) KMT2AIKBKBMEN1
SCHEMBL13213431 0.71 ALOX5 (0.33)

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3974413-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2022-03-30 EP disclosed
EP-3082786-B1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
EP-3082786-B1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
EP-2880028-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-30 EP disclosed
EP-2880028-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-30 EP disclosed
US-9834563-B2 Antidiabetic substituted heteroaryl compounds MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-9834563-B2 Antidiabetic substituted heteroaryl compounds MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-9834563-B2 Antidiabetic substituted heteroaryl compounds MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME LLC 2017-06-15 US disclosed
US-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME LLC 2017-06-15 US disclosed
WO-2015089809-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015089809-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
EP-2880028-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2015-06-10 EP disclosed
US-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-13 US disclosed
US-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-13 US disclosed
US-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-13 US disclosed
WO-2014019186-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-06 WO disclosed
WO-2014022528-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-06 WO disclosed
WO-2014019186-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-06 WO disclosed
WO-2014022528-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-06 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 (2 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-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS GPR119, GPR65, GPR55 KMT2A 2439/4885THRB 421/4885IKBKB 1485/4885
US-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 KMT2A 3661/4885THRB 146/4885IKBKB 1460/4885

“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.