SCHEMBL4828428

SCHEMBL4828428

CNc1nc(-c2cccc3ccccc23)co1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.55
ENPP1 P22413 2/20 0.50
ENPP3 O14638 1/20 0.50
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 2/20 0.43
ALOX12 P18054 2/20 0.43
HCRTR1 O43613 1/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
CCR4 P51679 1/20 0.41
RAB9A P51151 1/20 0.39
BCHE P06276 1/20 0.38

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
SCHEMBL14380708 0.86 ALOX15 (0.40) ALOX15ENPP1ENPP3KDM4EALDH1A1
SCHEMBL4835963 0.81 ALOX15 (0.49) ALOX15ENPP1ENPP3KDM4EALDH1A1
SCHEMBL25440366 0.79 NPC1 (0.40) ALDH1A1GAARAB9AMAPTSMN1; SMN2
SCHEMBL12647922 0.78 ENPP3 (0.77) ALOX15ENPP1ENPP3KDM4EALDH1A1
SCHEMBL4835226 0.75 ENPP1 (0.50) ALOX15ENPP1ENPP3KDM4EALDH1A1
SCHEMBL10790264 0.74 ENPP1 (0.50) ALOX15ENPP1ENPP3KDM4EALDH1A1
SCHEMBL4837110 0.74 ENPP1 (0.50) ALOX15ENPP1ENPP3KDM4EALDH1A1
SCHEMBL12591870 0.74 ENPP1 (0.50) ALOX15ENPP1ENPP3KDM4EALDH1A1
SCHEMBL30414741 0.73 ENPP1 (0.49) ALOX15ENPP1ENPP3KDM4EALDH1A1
SCHEMBL30414742 0.73 ENPP1 (0.49) ALOX15ENPP1ENPP3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575502-B1 COMPOSITIONS AND METHODS INVOLVING NUCLEAR HORMONE RECEPTOR SITE II BRISTOL MYERS SQUIBB CO (US) 2010-01-20 EP disclosed
US-7442554-B2 Compositions and methods involving glucocorticoid receptor site II BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-28 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
US-20050176791-A1 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2005-08-11 US disclosed
WO-2005016338-A1 USE OF 5-HT2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CONGESTIVE HEART FAILURE PHARMAGENE LABORATORIES LIMITED (GB) 2005-02-24 WO disclosed
EP-1474140-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2004-11-10 EP disclosed
US-20040010022-A1 5-HT2B receptor antagonists ASTERAND, INC. 2004-01-15 US disclosed
WO-2003068226-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2003-08-21 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-20050176791-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR3B ALOX15 810/4885ENPP1 2202/4885ENPP3 1677/4885
US-20040010022-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR2C ALOX15 1364/4885ENPP1 2253/4885ENPP3 2000/4885

“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.