Sugi Predict

Sugi Predict / Compounds / SCHEMBL1815835

SCHEMBL1815835

SCHEMBL1815835

CN1C(=O)N(Cc2ccc(-c3ccc4c(c3)CN(CC(F)(F)F)C4=O)cc2Cl)C(C)(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.37
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ HRH3 Q9Y5N1 5/20 0.32
▸ PRF1 P14222 3/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ HTR7 P34969 2/20 0.32
▸ HTR6 P50406 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CHKA P35790 1/20 0.31
▸ JAK2 O60674 2/20 0.30
▸ JAK1 P23458 2/20 0.30
▸ SIK2 Q9H0K1 1/20 0.30

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
SCHEMBL6873262 0.89 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC8
SCHEMBL1818701 0.86 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC8
SCHEMBL1817522 0.83 P2RX7 (0.38) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL1813688 0.81 CYP2C9 (0.37) P2RX7HTR1AHTR7HTR6CHKA
SCHEMBL12004116 0.80 HDAC3 (0.35) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL1819798 0.79 CHKA (0.46) P2RX7HDAC3HDAC4HDAC1HDAC7
SCHEMBL6873321 0.78 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC8
SCHEMBL1817850 0.77 PRF1 (0.34) HRH3PRF1HTR1AKCNH2
SCHEMBL1818849 0.77 PSEN1 (0.40) HDAC4HDAC1HRH3PRF1KCNH2
SCHEMBL1816500 0.76 PRF1 (0.42) HRH3PRF1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 — — US claimed
EP-2496569-A2 HETEROCYCLIC DERIVATIVES MSD Oss B.V. (NL) 2012-09-12 — — EP claimed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 — — US claimed
WO-2011051490-A2 HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2011-05-05 — — WO claimed
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 — — US disclosed
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 — — US disclosed
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 — — US disclosed
EP-2496569-A2 HETEROCYCLIC DERIVATIVES MSD Oss B.V. (NL) 2012-09-12 — — EP disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 — — US disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 — — US disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 — — US disclosed
WO-2011051490-A2 HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2011-05-05 — — WO disclosed
WO-2011051490-A2 HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2011-05-05 — — 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-20120220622-A1 HETEROCYCLIC DERIVATIVES GRIN2C, GRIN3A, GRIN2D P2RX7 1445/4885HDAC3 290/4885HDAC4 1190/4885

“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.