SCHEMBL3583887

SCHEMBL3583887

c1ccc(-c2ccc(-n3c(-c4ccccc4)cnc3-c3ccccc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.51
OXTR P30559 1/20 0.46
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGDS O60760 2/20 0.44
FLT3 P36888 1/20 0.42
GLA P06280 1/20 0.42
CACNA2D1 P54289 1/20 0.42
KDR P35968 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHEK1 O14757 1/20 0.41

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
SCHEMBL7062228 0.92 AVPR1A (0.50) AVPR1AHPGDSMN1; SMN2HPGDSKDR
SCHEMBL18674877 0.87 AVPR1A (0.44) AVPR1AOXTRHPGDSMN1; SMN2HPGDS
SCHEMBL11991172 0.85 AVPR1A (0.49) AVPR1AOXTRHPGDSMN1; SMN2HPGDS
SCHEMBL15887962 0.83 KDM4E (0.42) AVPR1AOXTRHPGDSMN1; SMN2HPGDS
SCHEMBL11868284 0.82 ALDH1A1 (0.53) AVPR1AHPGDSMN1; SMN2HPGDSKMT2A
SCHEMBL13197415 0.82 KIF11 (0.49) AVPR1AHPGDSMN1; SMN2KMT2AMEN1
SCHEMBL11868278 0.82 ALDH1A1 (0.53) AVPR1AHPGDSMN1; SMN2HPGDSKMT2A
SCHEMBL28087495 0.80 AKT1 (0.44) AVPR1AHPGDSMN1; SMN2KMT2AMEN1
SCHEMBL18999433 0.79 AVPR1A (0.40) AVPR1AHPGDSMN1; SMN2FLT3KDR
SCHEMBL28320964 0.78 AVPR1A (0.71) AVPR1AOXTRHPGDSMN1; SMN2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 US claimed
EP-1910308-A1 IMIDAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP claimed
WO-2007002563-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO claimed
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 US disclosed
EP-1910308-B1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-09-03 EP disclosed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 US disclosed
US-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 US disclosed
EP-1910308-A1 IMIDAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
WO-2007002563-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 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-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1H4 AVPR1A 2620/4885OXTR 2619/4885HPGD 382/4885
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1I2 AVPR1A 1447/4885OXTR 1614/4885HPGD 526/4885

“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.