SCHEMBL5453779

SCHEMBL5453779

O=C(O)c1cn(Cc2ccc(F)cc2)c2cccc(OCc3ccccc3)c12

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.59
LTB4R2 Q9NPC1 1/20 0.59
PLA2G2A P14555 2/20 0.57
CHRM1 P11229 1/20 0.54
POLB P06746 1/20 0.51
TP53 P04637 1/20 0.50
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.48
CNR2 P34972 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
SERPINE1 P05121 1/20 0.45

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
SCHEMBL5460580 0.92 PLA2G2A (0.56) LTB4RLTB4R2PLA2G2ACHRM1POLB
SCHEMBL6250269 0.85 PLA2G2A (0.48) LTB4RLTB4R2PLA2G2ACHRM1POLB
SCHEMBL6246636 0.84 PLA2G2A (0.47) LTB4RLTB4R2PLA2G2ACHRM1POLB
SCHEMBL5466916 0.82 PDE4A (0.52) LTB4RLTB4R2PLA2G2APOLBMAPT
SCHEMBL30497877 0.76 POLB (0.78) CHRM1POLBTP53MAPTSMN1; SMN2
SCHEMBL3232279 0.76 CHRM1 (0.82) CHRM1POLBTP53MAPTSMN1; SMN2
SCHEMBL6247594 0.76 LTB4R (0.41) LTB4RLTB4R2PLA2G2APOLBTP53
SCHEMBL14785275 0.75 PTGER1 (0.42) LTB4RLTB4R2PLA2G2AMAPTLMNA
SCHEMBL2000264 0.75 LMNA (0.59) PLA2G2ACHRM1MAPTALDH1A1HTT
SCHEMBL9023322 0.75 LTB4R (1.00) LTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093531-A1 Novel hydroxyindoles, their use as inhibitors of phosphodiesterase 4, and processes for preparing them ELBION AG 2007-04-26 US disclosed
US-7166637-B2 Hydroxyindoles, their use as inhibitors of phosphodiesterase 4, and processes for preparing them ELBION AG (DE) 2007-01-23 US disclosed
CN-1711082-A Novel hydroxyindoles, their use as phosphodiesterase 4 inhibitors and process for their preparation ELBION AG (DE) 2005-12-21 CN disclosed
EP-1562584-A1 NOVEL HYDROXYINDOLES, USE AS INHIBITORS OF PHOSPHODIESTERASE 4 AND METHOD FOR PRODUCTION THEREOF Elbion AG (DE) 2005-08-17 EP disclosed
US-20040147759-A1 Novel hydroxyindoles, their use as inhibitors of phosphodiesterase 4, and processes for preparing them ELBION AG (DE) 2004-07-29 US disclosed
WO-2004045607-A1 NOVEL HYDROXYINDOLES, USE AS INHIBITORS OF PHOSPHODIESTERASE 4 AND METHOD FOR PRODUCTION THEREOF ELBION AG (DE) 2004-06-03 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 (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-20040147759-A1 Novel hydroxyindoles, their use as inhibitors of phosphodiesterase 4, and processes for preparing them PDE4B, PDE4A, PDE4D LTB4R 224/4885LTB4R2 150/4885PLA2G2A 1184/4885
US-20070093531-A1 Novel hydroxyindoles, their use as inhibitors of phosphodiesterase 4, and processes for preparing them PDE4B, PDE4A, PDE4D LTB4R 175/4885LTB4R2 146/4885PLA2G2A 925/4885

“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.