SCHEMBL1366736

SCHEMBL1366736

O=C(NC1CCN(Cc2ccccc2C(F)(F)F)C1=O)c1cnc(-c2cccc(F)c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.44
▸ HDAC3 O15379 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ EPHX2 P34913 5/20 0.40
▸ PPARG P37231 3/20 0.40
▸ SRC P12931 2/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ PRCP P42785 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL1364946 0.81 DRD4 (0.43) HPGDSHDAC1HDAC6SRCDRD2
SCHEMBL1367373 0.80 HPGDS (0.41) HPGDSHDAC1HDAC6SRCDRD2
SCHEMBL1366908 0.80 HPGDS (0.41) HPGDSHDAC1HDAC6SRCDRD2
SCHEMBL24719135 0.77 HDAC11 (0.46) SRCKMT2AMEN1KDM4E
SCHEMBL1364881 0.77 HPGDS (0.41) HPGDSSRCDRD2
SCHEMBL1364506 0.75 HPGDS (0.42) HPGDSDRD2DRD4
SCHEMBL16495666 0.73 HPGDS (0.55) HPGDSHDAC1HDAC6SRCDRD2
SCHEMBL24718259 0.73 SRC (0.43) EPHX2SRCKMT2AMEN1KDM4E
SCHEMBL24719128 0.73 SRC (0.43) EPHX2SRCKMT2AMEN1KDM4E
SCHEMBL16496076 0.73 HPGDS (0.54) HPGDSHDAC1HDAC6SRCDRD2

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-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 — — US disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 — — US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 — — US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 — — 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 (2 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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S HPGDS 99/4885HDAC3 318/4885HDAC1 273/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S HPGDS 99/4885HDAC3 318/4885HDAC1 273/4885

“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.

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