SCHEMBL4308671

SCHEMBL4308671

Oc1ccc(-n2ccc(-c3ccccc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
ADORA3 P0DMS8 3/20 0.47
ADORA2A P29274 3/20 0.47
ADORA1 P30542 3/20 0.47
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.44
NTSR1 P30989 1/20 0.44
MMP3 P08254 1/20 0.43
BCL2L1 Q07817 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
MET P08581 1/20 0.41
MIF P14174 3/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
ESR2 Q92731 3/20 0.41
ESR1 P03372 1/20 0.41
CYP2C9 P11712 1/20 0.40
CD74 P04233 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL218118 0.87 KMT2A (0.57) KMT2AADORA3ADORA2AADORA1HTT
Ammonia Solution, Strong SCHEMBL10418488 0.85 KMT2A (0.55) KMT2AADORA3ADORA2AADORA1HTT
SCHEMBL27832176 0.82 MIF (0.63) METMIFALDH1A1
SCHEMBL15060395 0.82 NPC1 (0.50) KMT2AHTTMEN1ALDH1A1SMN1; SMN2
SCHEMBL28001364 0.82 KMT2A (0.48) KMT2AHTTMEN1ALDH1A1LMNA
SCHEMBL29007611 0.82 HTT (0.65) KMT2AHTTMEN1CYP2C9ALDH1A1
SCHEMBL27551728 0.82 KMT2A (0.50) KMT2AADORA3ADORA2AADORA1HTT
SCHEMBL182038 0.82 RPA1 (0.45) HSD17B1HSD17B2MIFCD74ALDH1A1
SCHEMBL182519 0.81 SMN1; SMN2 (0.49) KMT2AHTTMEN1CYP2C9ALDH1A1
SCHEMBL15072164 0.80 KMT2A (0.50) KMT2AHTTMEN1CYP2C9ALDH1A1

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
EP-1926708-B1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2014-06-18 EP disclosed
US-8598359-B2 Biaryl substituted heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2013-12-03 US disclosed
US-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS, EHF (IS) 2009-06-25 US disclosed
CN-101312948-A Biaryl substituted heterocycle inhibitors of lta4h for treating inflammation DECODE GENETICS EHF (IS) 2008-11-26 CN disclosed
US-7402684-B2 Biaryl substituted heterocycle inhibitors of LTA4H for treating inflammation DECODE GENECTICS EHF. (IS) 2008-07-22 US disclosed
EP-1926708-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION Decode Chemistry, Inc. (US) 2008-06-04 EP disclosed
WO-2007040681-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2007-04-12 WO disclosed
WO-2007040682-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2007-04-12 WO disclosed
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-04-05 US disclosed
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-03-22 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 (3 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-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S KMT2A 3243/4885ADORA3 686/4885ADORA2A 630/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S KMT2A 3243/4885ADORA3 686/4885ADORA2A 630/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S KMT2A 3243/4885ADORA3 686/4885ADORA2A 630/4885

“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.