SCHEMBL381258

SCHEMBL381258

Cc1cc(C(N)=O)c(-c2cccc(O)c2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.47
MGLL Q99685 3/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
KCNH2 Q12809 2/20 0.43
DHFR P00374 1/20 0.43
CYP1A2 P05177 1/20 0.43
PARP1 P09874 2/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.42
IKBKB O14920 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 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
SCHEMBL381742 0.81 FAAH (0.55) FAAHMGLLDRD2DRD3KCNH2
SCHEMBL381413 0.80 FAAH (0.60) FAAHMGLLDRD2DRD3KCNH2
SCHEMBL382167 0.80 ALOX5 (0.49) HSD17B10MEN1ALDH1A1CYP3A4MAPT
SCHEMBL381172 0.77 FAAH (0.54) FAAHMGLLDRD2DRD3KCNH2
SCHEMBL381429 0.76 CSNK2A2 (0.46) PARP1KDM4EHSD17B10MAPK1MEN1
SCHEMBL7063111 0.72 PARP1 (0.52) CYP1A2PARP1HSD17B10IKBKBALDH1A1
Urea SCHEMBL28406941 0.70 HSD17B1 (0.68) CYP1A2PARP1HSD17B10ALDH1A1CYP3A4
SCHEMBL381908 0.70 HSD17B1 (0.49) FAAHDRD2DRD3KCNH2PARP1
SCHEMBL1789847 0.69 BCAT2 (0.67) PARP1KDM4EHSD17B10IKBKBALDH1A1
SCHEMBL891997 0.68 KDM4E (0.56) FAAHMGLLKDM4EHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252865-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2012-10-04 US disclosed
EP-2408743-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2012-01-25 EP disclosed
WO-2010105930-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-09-23 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 (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-20120252865-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS ACHE, CHRNA10, CHRNA5 FAAH 151/4885MGLL 3954/4885DRD2 780/4885

“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.