SCHEMBL19282949

SCHEMBL19282949

O=C(O)NC1(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.51
PTGER4 P35408 7/20 0.47
PTGER2 P43116 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
APP P05067 1/20 0.47
OPRM1 P35372 1/20 0.45
OPRL1 P41146 1/20 0.45
KIF11 P52732 1/20 0.44
THRB P10828 1/20 0.43

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
SCHEMBL27075244 0.95 PDE2A (0.54) PDE2APTGER4PTGER2HDAC3HDAC1
SCHEMBL28540955 0.82 BCL2L1 (0.44) HDAC3HDAC1HDAC2HDAC6APP
SCHEMBL2362049 0.82 TACR3 (0.44) PDE2AHDAC1
SCHEMBL19282962 0.80 PDE2A (0.46) PDE2APTGER4PTGER2HDAC3HDAC1
SCHEMBL28113612 0.80 PDE2A (0.58) PDE2APTGER4PTGER2HDAC3HDAC1
SCHEMBL27159970 0.76 PDE2A (0.44) PDE2APTGER4PTGER2HDAC3HDAC1
SCHEMBL2363242 0.74 HTT (0.48) HDAC3HDAC1HDAC2HDAC6OPRM1
SCHEMBL27088175 0.74 PDE2A (0.40) PDE2APTGER4
SCHEMBL15258671 0.73 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC6
SCHEMBL2720873 0.73 MAPK1 (0.38) PDE2AHDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247336-A1 SUBSTITUTED PYRIMIDINES AS INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-08-31 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-20170247336-A1 SUBSTITUTED PYRIMIDINES AS INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 PDE2A 962/4885PTGER4 2214/4885PTGER2 1549/4885

“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.