SCHEMBL381429

SCHEMBL381429

Cc1oc(-c2cccc(O)c2)cc1C(N)=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPK1 P28482 2/20 0.46
HPGD P15428 5/20 0.44
CYP3A4 P08684 4/20 0.44
PARP1 P09874 4/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 3/20 0.44
TNKS O95271 2/20 0.44
TNKS2 Q9H2K2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C9 P11712 2/20 0.44

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
SCHEMBL3878827 0.84 NPC1 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL381692 0.81 SLC9A1 (0.54) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL31222240 0.80 AR (0.53) ALDH1A1SMN1; SMN2KDM4EHPGDPARP1
SCHEMBL381258 0.76 FAAH (0.47) ALDH1A1RAB9AKDM4EHSD17B10MAPK1
SCHEMBL7172732 0.75 NPC1 (0.74) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7063111 0.72 PARP1 (0.52) ALDH1A1HSD17B10CYP3A4PARP1CYP2C9
SCHEMBL13518086 0.71 SLC9A1 (0.50) CSNK2A2CSNK2BCSNK2A1ALDH1A1SMN1; SMN2
SCHEMBL557753 0.70 NPC1 (0.73) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
Urea SCHEMBL28406941 0.70 HSD17B1 (0.68) ALDH1A1HSD17B10CYP3A4PARP1CYP2C9
SCHEMBL381908 0.70 HSD17B1 (0.49) CYP3A4PARP1HSD17B1HSD17B2CYP2C19

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 CSNK2A2 381/4885CSNK2B 357/4885CSNK2A1 383/4885

“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.