SCHEMBL4970874

SCHEMBL4970874

CCOC(=O)C1C(=O)CCc2cc(C#N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.39
CYP1A2 P05177 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP2 O95551 1/20 0.36
ELANE P08246 2/20 0.36
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR2 P34972 1/20 0.36
LRRK2 Q5S007 2/20 0.35

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
SCHEMBL4970522 0.91 HRH3 (0.40) PPARDPPARAGAAELANECYP3A4
SCHEMBL4972770 0.81 TDP2 (0.52) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL4740754 0.81 MAPK1 (0.44) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL4973505 0.80 KDM4E (0.46) PPARDKDM4EMEN1ALDH1A1MAPT
SCHEMBL4974228 0.79 MEN1 (0.41) CYP1A2GAAKDM4EMEN1ALDH1A1
SCHEMBL4970905 0.78 ATM (0.43) PPARDMEN1KMT2AL3MBTL1
SCHEMBL1476534 0.77 PPARD (0.40) GRM5CYP1A2PDCD1CD274PPARD
SCHEMBL4969649 0.77 HPGD (0.43) CYP1A2GAAKDM4EMEN1ALDH1A1
SCHEMBL4972012 0.76 ALDH1A1 (0.41) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL1476999 0.74 PDCD1 (0.39) GRM5CYP1A2PDCD1CD274GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008118790-A1 DIHYDROINDAZOLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-10-02 WO disclosed
US-20080234327-A1 DIHYDROINDAZOLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 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-20080234327-A1 DIHYDROINDAZOLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC40A1, HAMP GRM5 2750/4885CYP1A2 78/4885PDCD1 1400/4885

“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.