SCHEMBL5342121

SCHEMBL5342121

N#Cc1cc2cn[c]nc2cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 4/20 0.43
TRPV4 Q9HBA0 1/20 0.33
PDE10A Q9Y233 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
IDO1 P14902 1/20 0.33
CYP11B2 P19099 1/20 0.33
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31

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
SCHEMBL5342100 0.80 MAPK13 (0.34) KDM4EALDH1A1GAAPOLBKMT2A
SCHEMBL5335108 0.77 TRPV4 (0.38) TRPV4CYP11B2KHK
SCHEMBL5340072 0.74 MAPT (0.37) PDE10AEGLN1
SCHEMBL5337198 0.73 PGK1 (0.43) PGK1TRPV4PDE10AKDM4EALDH1A1
SCHEMBL30569588 0.71 PGK1 (0.44) PGK1PDE10ACYP11B2CSNK1A1CLK4
SCHEMBL5338624 0.70 MAPT (0.33) CYP11B2
SCHEMBL28900000 0.70 AHR (0.32)
SCHEMBL11832405 0.69 PGK1 (0.38) PGK1TRPV4PDE10AALDH1A1IDO1
SCHEMBL10807738 0.69 PGK1 (0.45) PGK1TRPV4PDE10AALDH1A1IDO1
SCHEMBL22401517 0.67 PGK1 (0.46) PGK1TRPV4PDE10AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030216571-A1 Antiallergens; antiinflammatory agents UBE INDUSTRIES, LTD. (JP) 2003-11-20 US claimed
EP-1254897-A1 TRICYCLIC COMPOUNDS Ube Industries, Ltd. (JP) 2002-11-06 EP claimed
US-7309718-B2 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2007-12-18 US disclosed
US-20040180884-A1 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2004-09-16 US disclosed
EP-1408033-A1 DIBENZOCYCLOHEPTENE COMPOUND Ube Industries, Ltd. (JP) 2004-04-14 EP disclosed
US-20030216571-A1 Antiallergens; antiinflammatory agents UBE INDUSTRIES, LTD. (JP) 2003-11-20 US disclosed
EP-1254897-A1 TRICYCLIC COMPOUNDS Ube Industries, Ltd. (JP) 2002-11-06 EP 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-20040180884-A1 Dibenzocycloheptene compound LTB4R2, LTA4H, LTC4S PGK1 4242/4885TRPV4 425/4885PDE10A 3445/4885
US-20030216571-A1 Antiallergens; antiinflammatory agents CYSLTR2, CYSLTR1, LTC4S PGK1 3005/4885TRPV4 391/4885PDE10A 4359/4885

“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.