SCHEMBL5337198

SCHEMBL5337198

N#Cc1cc2cc[c]nc2cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 4/20 0.43
TRPV4 Q9HBA0 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
PDE10A Q9Y233 1/20 0.36
IDO1 P14902 1/20 0.33
CYP11B2 P19099 2/20 0.33
VCAM1 P19320 1/20 0.33
DYRK1A Q13627 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
RHEB Q15382 1/20 0.31
LRRK2 Q5S007 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HBB P68871 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
SCHEMBL2718077 0.80 MAPK13 (0.34) ALDH1A1KDM4EGAADYRK1APOLB
SCHEMBL5337305 0.77 TRPV4 (0.38) TRPV4ALDH1A1KDM4EGAACYP11B2
SCHEMBL22401517 0.74 PGK1 (0.46) PGK1TRPV4ALDH1A1KDM4EGAA
SCHEMBL29374258 0.74 PGK1 (0.46) PGK1TRPV4ALDH1A1KDM4EGAA
SCHEMBL5335211 0.74 MAPT (0.37) PDE10AMAPT
SCHEMBL5342121 0.73 PGK1 (0.43) PGK1TRPV4ALDH1A1KDM4EGAA
SCHEMBL1826613 0.70 HRH3 (0.38) ALDH1A1KDM4EGAACYP11B2DYRK1A
SCHEMBL5341173 0.70 MAPT (0.33) MAPT
SCHEMBL5749720 0.70 KDM4E (0.37) ALDH1A1KDM4EGAACYP11B2
SCHEMBL7759313 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7309718-B2 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2007-12-18 US claimed
US-20040180884-A1 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2004-09-16 US claimed
EP-1408033-A1 DIBENZOCYCLOHEPTENE COMPOUND Ube Industries, Ltd. (JP) 2004-04-14 EP claimed
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 425/4885ALDH1A1 847/4885
US-20030216571-A1 Antiallergens; antiinflammatory agents CYSLTR2, CYSLTR1, LTC4S PGK1 3005/4885TRPV4 391/4885ALDH1A1 921/4885

“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.