SCHEMBL3458396

SCHEMBL3458396

O=C(c1ccc(Oc2ccccc2)cc1)N1[CH]CCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
HTT P42858 1/20 0.50
SLC6A7 Q99884 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
PARP10 Q53GL7 1/20 0.47
SRD5A2 P31213 3/20 0.46
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42

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
SCHEMBL3459381 0.87 FAAH (0.55) HTTMEN1KMT2APARP10ALDH1A1
SCHEMBL1525473 0.85 HPGD (0.53) KMT2AALDH1A1MAPK1
SCHEMBL3459574 0.83 HPGD (0.60) SLC6A7MEN1KMT2AALDH1A1MAPK1
SCHEMBL1927948 0.80 HPGD (0.56) HTTKMT2AALDH1A1MAPK1NPC1
SCHEMBL28020408 0.79 HPGD (0.59) HTTKMT2AALDH1A1MAPK1POLB
SCHEMBL7973168 0.78 HPGD (0.42) HTTMEN1KMT2AALDH1A1POLB
SCHEMBL3459713 0.76 ALDH1A1 (0.49) KMT2ACHRNA7ALDH1A1POLB
SCHEMBL3458943 0.72 RECQL (0.46) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL4050708 0.72 HPGD (0.46) HTTMEN1KMT2AALDH1A1MAPK1
SCHEMBL12993944 0.71 KMT2A (0.50) NAAAHTTSLC6A7MEN1KMT2A

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
EP-2144875-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-01-20 EP disclosed
EP-2144874-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-01-20 EP disclosed
WO-2008141011-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-20 WO disclosed
WO-2008137609-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed
US-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 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 (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-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 NAAA 1106/4885HTT 4772/4885SLC6A7 4728/4885
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 NAAA 1106/4885HTT 4772/4885SLC6A7 4728/4885

“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.