SCHEMBL4894265

SCHEMBL4894265

CC(C)CCn1nc(-c2cccs2)c(=O)oc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.43
ALDH1A1 P00352 7/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAF1 P04049 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL14034566 0.74 ADORA1 (0.45) ADORA1ALDH1A1HTTMEN1KMT2A
SCHEMBL14007540 0.74 ADORA1 (0.42) ADORA1ALDH1A1HTTMEN1KMT2A
SCHEMBL5085621 0.73 FEN1 (0.44) ADORA1ALDH1A1HTTMEN1KMT2A
SCHEMBL4053471 0.72 ADORA1 (0.41) ADORA1ALDH1A1MEN1KMT2AMAPT
SCHEMBL335086 0.69 ALDH1A1 (0.46) ADORA1ALDH1A1HTTMEN1KMT2A
SCHEMBL8265982 0.63 GRM2 (0.45) ALDH1A1HTTMAPTL3MBTL1KDM4E
SCHEMBL335087 0.62 GABRA1 (0.37) ALDH1A1HTTKMT2AMAPTL3MBTL1
SCHEMBL1522918 0.61 LMNA (0.39) ALDH1A1KMT2AMAPTLMNATP53
SCHEMBL1523092 0.61 ALDH1A1 (0.42) ALDH1A1HTTMAPTCASP1HSD17B10
SCHEMBL9118620 0.60 ALDH1A1 (0.49) ADORA1ALDH1A1HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008051637-A2 PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-05-02 WO disclosed
US-20080090814-A1 PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-20080090814-A1 PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-20080090814-A1 PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-04-17 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 (1 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-20080090814-A1 PYRIDAZINONE COMPOUNDS HAVCR2, PLPBP, CYP3A43 ADORA1 1274/4885ALDH1A1 1191/4885HTT 3878/4885

“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.