SCHEMBL2446029

SCHEMBL2446029

Nc1ccc(N2CCN(Cc3ccccc3)C(=O)C2Cc2ccccc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 1/20 0.38
HDAC6 Q9UBN7 5/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC8 Q9BY41 3/20 0.37
ELANE P08246 1/20 0.37
CYP19A1 P11511 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
POLB P06746 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL2397086 0.76 GRIN2D (0.50) HDAC1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL27861104 0.75 HDAC1 (0.38) HDAC1CYP19A1KMT2AMEN1GRIN2D
SCHEMBL2394964 0.73 GRIN2D (0.49) KMT2AMEN1GRIN2DGRIN3BGRIN1
SCHEMBL2393288 0.69 HCRTR2 (0.59)
SCHEMBL5641894 0.68 EP300 (0.62) KMT2AMEN1POLBCYP2D6CYP2C9
SCHEMBL2744707 0.67 ALDH1A1 (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11045628 0.66 L3MBTL1 (0.51) KMT2AMEN1POLBCYP2D6CYP2C9
SCHEMBL11052061 0.65 MET (0.49)
Hydrochloric Acid SCHEMBL9453649 0.64 POLB (0.61) HDAC1ELANEKMT2AMEN1POLB
SCHEMBL27843670 0.64 GRIN2D (0.41) HDAC1GRIN2DGRIN3BGRIN1GRIN2A

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-2376454-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2011-10-19 EP disclosed
US-20110224193-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
US-20110224193-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
US-20110224193-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
WO-2010059611-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 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-20110224193-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT FGFR3 4066/4885HDAC6 233/4885HDAC1 178/4885

“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.