SCHEMBL3459381

SCHEMBL3459381

O=C(c1cccc(Oc2ccccc2)c1)N1[CH]CCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.55
AKR1C3 P42330 1/20 0.54
HDAC8 Q9BY41 1/20 0.52
PKM P14618 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.50
CRHBP P24387 1/20 0.50
HTT P42858 1/20 0.50
CRHR2 Q13324 1/20 0.50
NPC1 O15118 1/20 0.50
PARP10 Q53GL7 6/20 0.49
PARP14 Q460N5 5/20 0.49
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MGLL Q99685 1/20 0.46
ERCC5 P28715 1/20 0.46

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
SCHEMBL3458396 0.87 NAAA (0.52) MEN1KMT2AHTTNPC1PARP10
SCHEMBL1525473 0.82 HPGD (0.53) KMT2AMAPTALDH1A1
SCHEMBL1927948 0.77 HPGD (0.56) KMT2AMAPTHTTNPC1LMNA
SCHEMBL28020408 0.76 HPGD (0.59) KMT2AMAPTHTTNPC1LMNA
SCHEMBL4053729 0.74 ALDH1A1 (0.47) MAPTKDM4EALDH1A1MGLL
SCHEMBL4900017 0.73 AKR1C3 (0.75) FAAHAKR1C3HDAC8PKMMEN1
SCHEMBL3459574 0.73 HPGD (0.60) MEN1KMT2ANPC1LMNAALDH1A1
SCHEMBL8248607 0.72 ALDH1A1 (0.72) AKR1C3HDAC8PKMNPC1LMNA
SCHEMBL21887184 0.71 AKR1C3 (0.78) FAAHAKR1C3HDAC8PKMNPC1
SCHEMBL8897485 0.71 AKR1C3 (0.78) AKR1C3HDAC8PKMNPC1PARP10

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 FAAH 204/4885AKR1C3 2381/4885HDAC8 2929/4885
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 FAAH 204/4885AKR1C3 2381/4885HDAC8 2929/4885

“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.