SCHEMBL1004956

SCHEMBL1004956

CCOC(=O)c1cc2c([nH]1)CC(C)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 5/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
MMP13 P45452 4/20 0.40
MMP2 P08253 3/20 0.40

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
SCHEMBL24374825 0.87 KDM4E (0.42) HRH3ALDH1A1KDM4EHPGDRAB9A
SCHEMBL1003990 0.83 CYP1A2 (0.44) ALDH1A1KDM4EHPGDRAB9ALMNA
SCHEMBL8163947 0.79 ALOX15 (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL1004208 0.79 ALOX15 (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL1004793 0.76 HRH4 (0.48) HRH3ALDH1A1KDM4EHPGDRAB9A
SCHEMBL1392811 0.76 HRH4 (0.51) HRH3ALDH1A1KDM4EHPGDRAB9A
SCHEMBL22509467 0.75 HRH4 (0.50) HRH3ALDH1A1KDM4EHPGDRAB9A
SCHEMBL21310107 0.75 HRH4 (0.50) HRH3ALDH1A1KDM4EHPGDRAB9A
SCHEMBL24851409 0.75 HRH4 (0.50) HRH3ALDH1A1KDM4EHPGDRAB9A
SCHEMBL17575660 0.75 HRH4 (0.50) HRH3ALDH1A1KDM4EHPGDRAB9A

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
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 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-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE HRH3 1384/4885ALDH1A1 465/4885KDM4E 1859/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE HRH3 1384/4885ALDH1A1 465/4885KDM4E 1859/4885

“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.