SCHEMBL3527797

SCHEMBL3527797

O=C1CC(C2CC2)=NN1c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.40
SLC9A2 Q9UBY0 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 1/20 0.40
POLB P06746 1/20 0.40
DDAH1 O94760 1/20 0.39
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR1A P08908 4/20 0.37
HTR7 P34969 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36

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
SCHEMBL3537137 0.81 HCAR1 (0.41) MAPTALDH1A1KMT2ARECQLNPC1
SCHEMBL3533237 0.79 MEN1 (0.45) MAPTALDH1A1HSD17B10KMT2AKDM4E
SCHEMBL3532127 0.79 MAPT (0.45) MAPTALDH1A1KMT2AKDM4EHTT
SCHEMBL3529723 0.78 SHMT2 (0.43) MAPTALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL3528966 0.78 NOTUM (0.40) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL30590658 0.78 MAPT (0.57) MAPTALDH1A1HSD17B10HPGDPKM
SCHEMBL4661664 0.78 MAPT (0.57) MAPTALDH1A1HSD17B10HPGDPKM
SCHEMBL3534430 0.76 GAA (0.43) MAPTALDH1A1HPGDPKMPOLB
SCHEMBL3529246 0.76 ALDH1A1 (0.40) MAPTALDH1A1POLBKMT2AKDM4E
SCHEMBL3530839 0.75 GAA (0.57) MAPTALDH1A1POLBKMT2AKDM4E

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-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 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-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes HSD11B1, HSD17B1, HSD17B7 SLC9A1 466/4885SLC9A2 1557/4885MAPT 3706/4885

“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.