SCHEMBL3949397

SCHEMBL3949397

[CH2]Cc1ccc(-n2c(CCCN3CCCC3=O)nc3cc(C(F)(F)F)c(Cl)cc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
GRIA2 P42262 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PDK2 Q15119 3/20 0.34
RAB9A P51151 1/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
ADRA1A P35348 1/20 0.32

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
SCHEMBL3947014 0.98 HDAC1 (0.34) KCNH2HDAC1HDAC8GRIA2CYP1A2
SCHEMBL1626739 0.80 L3MBTL1 (0.36) HDAC1HDAC8CYP2C9KMT2AMEN1
SCHEMBL7590803 0.79 PDK1 (0.37) HDAC1HDAC8KMT2AMEN1CYP2C19
SCHEMBL3956580 0.78 AOC2 (0.35)
SCHEMBL3949939 0.78 HPGD (0.40) SMN1; SMN2LMNA
SCHEMBL1624469 0.78 L3MBTL1 (0.35) HDAC1HDAC8CYP2C9KMT2AMEN1
SCHEMBL3955832 0.78 HPGD (0.41) SMN1; SMN2
SCHEMBL3949979 0.77 CNR2 (0.36) CYP1A2KMT2AMEN1RAB9A
SCHEMBL3956236 0.76 LMNA (0.37) HDAC1HDAC8LMNA
SCHEMBL3950318 0.76 AOC2 (0.42) KCNH2KMT2AMEN1

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-7479564-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents RAQUALIA PHARMA INC. (JP) 2009-01-20 US disclosed
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PFIZER INC. 2007-07-05 US disclosed
EP-1666480-A1 Aryl or Heteroaryl Fused Imidazole Compounds as intermediates for Anti-Inflammatory And Analgesic Agents. PFIZER PHARMACEUTICALS INC. (JP) 2006-06-07 EP disclosed
EP-1326864-B1 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMA (JP) 2006-03-15 EP 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-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PTGS1, PTGS2, PTGES KCNH2 202/4885HDAC1 847/4885HDAC8 1353/4885

“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.