SCHEMBL2840174

SCHEMBL2840174

O=C(O)N(Cc1ccccc1)CC1CCc2ccccc2CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PKM P14618 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
GRIN2B Q13224 4/20 0.45
GRIN1 Q05586 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
TSHR P16473 1/20 0.44
AGTR2 P50052 1/20 0.43
KDM4E B2RXH2 2/20 0.43
KCNA5 P22460 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL3372477 0.89 HDAC1 (0.58) MEN1KMT2APKMHDAC1HDAC6
SCHEMBL1700511 0.88 MEN1 (0.50) MEN1KMT2APKMHDAC1HDAC6
SCHEMBL8773484 0.84 HDAC1 (0.61) MEN1KMT2APKMHDAC1HDAC6
SCHEMBL5722086 0.83 HDAC1 (0.53) MEN1KMT2APKMHDAC1HDAC6
SCHEMBL5722085 0.83 HDAC1 (0.53) MEN1KMT2APKMHDAC1HDAC6
SCHEMBL393116 0.81 HDAC1 (0.52) MEN1KMT2APKMHDAC1HDAC6
SCHEMBL2009587 0.81 GBA1 (0.53) MEN1KMT2APKMHDAC1HDAC6
SCHEMBL5030087 0.81 HDAC1 (0.52) MEN1KMT2APKMHDAC1HDAC6
SCHEMBL21400325 0.78 HDAC1 (0.55) MEN1KMT2APKMHDAC1HDAC6
SCHEMBL13738679 0.76 USP30 (0.53) MEN1KMT2APKMHDAC1HDAC6

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-8436028-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP (US) 2013-05-07 US disclosed
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC 2010-08-05 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-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP MEN1 4735/4885KMT2A 1476/4885PKM 3204/4885

“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.