SCHEMBL3955832

SCHEMBL3955832

[CH2]Cc1ccc(-n2c(CCC(=O)N3CCCCC3)nc3cc(C(F)(F)F)c(Cl)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 1/20 0.35
NOTUM Q6P988 1/20 0.35
MAP3K7 O43318 1/20 0.35
IRAK1 P51617 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
CETP P11597 1/20 0.34
MAPT P10636 1/20 0.34
ALOX5 P09917 1/20 0.34
MCHR1 Q99705 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34

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
SCHEMBL3949939 0.99 HPGD (0.40) HPGDNPSR1SMN1; SMN2CNR1NOTUM
SCHEMBL1626005 0.80 ALDH1A1 (0.38) HPGDNPSR1CNR1ALDH1A1TSHR
SCHEMBL3948843 0.79 GRM4 (0.41) IRAK4ALDH1A1MAPT
SCHEMBL3947014 0.79 HDAC1 (0.34) SMN1; SMN2MCHR1
SCHEMBL1626072 0.79 ALDH1A1 (0.39) HPGDCNR1ALDH1A1TSHRCETP
SCHEMBL3946684 0.79 RXFP1 (0.35) MAPT
SCHEMBL3949979 0.78 CNR2 (0.36) HPGDCNR1NOTUMALDH1A1
SCHEMBL3949397 0.78 KCNH2 (0.36) SMN1; SMN2
SCHEMBL3956580 0.76 AOC2 (0.35) CNR1NOTUM
SCHEMBL3956236 0.73 LMNA (0.37) NOTUMALDH1A1MAPT

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-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
US-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2002-08-08 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-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 HPGD 46/4885NPSR1 723/4885SMN1; SMN2 3880/4885
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PTGS1, PTGS2, PTGES HPGD 21/4885NPSR1 439/4885SMN1; SMN2 4211/4885

“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.