SCHEMBL3985369

SCHEMBL3985369

CN1CCn2c(c(O)c3c(=O)n(Cc4ccc(F)c(Cl)c4)nc(C(=O)N4CCCCC4)c32)C1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
AVPR1B P47901 2/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.33
PARP1 P09874 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
PREP P48147 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
PDE4D Q08499 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL3982265 0.94 PARP1 (0.36) LMNAALDH1A1MAPTTSHRPARP1
SCHEMBL3983968 0.93 PIK3CD (0.39) AVPR1BALDH1A1MAPTTSHRPARP1
SCHEMBL3981550 0.92 PIK3CD (0.33) LMNAAVPR1BALDH1A1MAPTTSHR
SCHEMBL3985220 0.91 PARP1 (0.41) LMNAALDH1A1MAPTTSHRPARP1
SCHEMBL3987232 0.89 PTGER4 (0.35) AVPR1BPREPP2RX7
SCHEMBL1387060 0.89 ALDH1A1 (0.36) LMNAALDH1A1MAPTTSHRPARP1
SCHEMBL3988126 0.89 PTGER4 (0.34) AVPR1BP2RX7
SCHEMBL3982488 0.87 PTGER4 (0.33) AVPR1BP2RX7
SCHEMBL3984446 0.87 PTGER4 (0.37) AVPR1BPDE4APDE4BPDE4CPDE4D
SCHEMBL3987210 0.86 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US claimed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US claimed
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP LMNA 3682/4885AVPR1B 1814/4885PDE4A 447/4885

“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.