SCHEMBL571476

SCHEMBL571476

O=C(C1CC1)C(Br)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
KMT2A Q03164 1/20 0.37
CACNA1B Q00975 2/20 0.36
HSD11B1 P28845 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 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
SCHEMBL1155726 0.81 GAA (0.44) NOTUMHDAC4HDAC7HDAC5KMT2A
SCHEMBL241642 0.81 CES2 (0.57) KMT2ACES2CES1
SCHEMBL571443 0.80 HDAC4 (0.45) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL3736079 0.76 CES2 (0.44) KMT2ACES2CES1
SCHEMBL3730553 0.76 CES2 (0.44) HSD11B1CES2CES1
SCHEMBL182750 0.74 CES2 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL182749 0.74 CES2 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2119 0.74 CES2 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5015693 0.73 CES2 (0.52) KMT2ACES2CES1
SCHEMBL9558033 0.72 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274284-A1 PREPARATION OF PRASUGREL HYDROCHLORIDE DR. REDDY'S LABORATORIES, INC. (US) 2013-10-17 US disclosed
EP-2601200-A2 PREPARATION OF PRASUGREL HYDROCHLORIDE Dr. Reddy's Laboratories Ltd. (IN) 2013-06-12 EP disclosed
WO-2012018791-A2 PREPARATION OF PRASUGREL HYDROCHLORIDE DR. REDDY'S LABORATORIES LTD. (IN) 2012-02-09 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-20130274284-A1 PREPARATION OF PRASUGREL HYDROCHLORIDE PFKP, PF4, PTAFR NOTUM 1278/4885HDAC3 4089/4885HDAC4 4225/4885

“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.