SCHEMBL4828409

SCHEMBL4828409

Cc1oc(N)nc1-c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.46
ALDH1A1 P00352 6/20 0.45
ALOX15 P16050 3/20 0.43
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
RIPK2 O43353 1/20 0.39
PRKD3 O94806 1/20 0.39
ABL1 P00519 1/20 0.39
FYN P06241 1/20 0.39
SRC P12931 1/20 0.39
CDK2 P24941 1/20 0.39
CSK P41240 1/20 0.39
MAPK8 P45983 1/20 0.39
CSNK1D P48730 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
SCHEMBL4828418 0.77 DHFR (0.50) DHFRALDH1A1ALOX15HPGDHSD17B10
SCHEMBL4535291 0.71 HTR2A (0.53) DHFRALDH1A1ALOX15HPGDHSD17B10
SCHEMBL28304125 0.70 LMNA (0.47) DHFRALDH1A1HPGDHSD17B10MAPT
SCHEMBL28050387 0.70 ALOX15 (0.47) DHFRALDH1A1ALOX15HPGDHSD17B10
SCHEMBL6385170 0.70 HTR6 (0.55) DHFRALDH1A1HPGDHSD17B10MEN1
SCHEMBL4527722 0.70 NR4A2 (0.50) ALDH1A1ALOX15HPGDHSD17B10MEN1
SCHEMBL5748987 0.70 DHFR (0.62) DHFRALDH1A1HPGDHSD17B10HRH3
SCHEMBL14074125 0.70 KDM4E (0.46) DHFRALDH1A1ALOX15HPGDHSD17B10
SCHEMBL4828423 0.70 ALOX15 (0.40) DHFRALDH1A1ALOX15HPGDHSD17B10
SCHEMBL1531775 0.69 ALOX15 (0.59) ALDH1A1ALOX15HPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20040010022-A1 5-HT2B receptor antagonists ASTERAND, INC. 2004-01-15 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-20050176791-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR3B DHFR 265/4885ALDH1A1 2700/4885ALOX15 810/4885
US-20040010022-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR2C DHFR 509/4885ALDH1A1 974/4885ALOX15 1364/4885

“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.