SCHEMBL3459574

SCHEMBL3459574

O=C(c1ccc(-c2ccccc2)cc1)N1[CH]CCC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.60
MAPK1 P28482 1/20 0.60
POLB P06746 3/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SLC6A7 Q99884 3/20 0.50
FASN P49327 5/20 0.49
TSHR P16473 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
AVPR2 P30518 1/20 0.48
OXTR P30559 1/20 0.48
AVPR1A P37288 1/20 0.48
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL1525473 0.90 HPGD (0.53) HPGDMAPK1KMT2ATSHRALDH1A1
SCHEMBL1927948 0.84 HPGD (0.56) HPGDMAPK1KMT2ATSHRSMN1; SMN2
SCHEMBL28020408 0.83 HPGD (0.59) HPGDMAPK1POLBKMT2ATSHR
SCHEMBL3459713 0.79 ALDH1A1 (0.49) HPGDPOLBKMT2AAVPR2AVPR1A
SCHEMBL4050708 0.76 HPGD (0.46) HPGDMAPK1MEN1KMT2AALDH1A1
SCHEMBL3458943 0.76 RECQL (0.46) HPGDMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL6614562 0.75 HPGD (1.00) HPGDMAPK1POLBMEN1KMT2A
SCHEMBL10721898 0.74 MAPK1 (0.85) HPGDMAPK1POLBMEN1KMT2A
SCHEMBL3454812 0.74 HPGD (0.96) HPGDMAPK1POLBMEN1KMT2A
SCHEMBL3456729 0.74 HPGD (0.96) HPGDMAPK1POLBMEN1KMT2A

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 HPGD 81/4885MAPK1 3571/4885POLB 1953/4885
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 HPGD 81/4885MAPK1 3571/4885POLB 1953/4885

“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.