SCHEMBL12374019

SCHEMBL12374019

O=COCCn1cnc(-c2ccc(Br)cc2F)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.37
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
NSD2 O96028 1/20 0.32
NSD3 Q9BZ95 1/20 0.32
NMT1 P30419 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL12374018 0.84 DGAT1 (0.41) DGAT1HDAC1HDAC6HDAC4HDAC2
SCHEMBL12374015 0.80 HDAC1 (0.40) DGAT1HDAC1HDAC6HDAC4HDAC2
SCHEMBL12374173 0.80 HDAC1 (0.36) HDAC1HDAC6
SCHEMBL10276697 0.73 DGAT1 (0.59) DGAT1HDAC1HDAC6HDAC4HDAC2
SCHEMBL18113495 0.72 DGAT1 (0.39) DGAT1HDAC1HDAC6HDAC4HDAC2
SCHEMBL18614369 0.71 HDAC1 (0.47) DGAT1HDAC1HDAC6HDAC4HDAC2
SCHEMBL11996734 0.70 HDAC1 (0.38) HDAC1HDAC6HDAC4HDAC2HDAC11
SCHEMBL12406559 0.64 HDAC1 (0.40) HDAC1HDAC6HDAC4HDAC2HDAC11
SCHEMBL13748979 0.64 HDAC1 (0.40) HDAC1HDAC6HDAC4HDAC2HDAC11
SCHEMBL2097283 0.64 NAAA (0.43) DGAT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 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-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 DGAT1 1976/4885HDAC1 230/4885HDAC6 563/4885

“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.