SCHEMBL5332633

SCHEMBL5332633

FC(F)(F)Oc1ccc2cn[c]nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SCN4A P35499 2/20 0.41
SCN9A Q15858 2/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
SLC6A2 P23975 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL5332626 0.81 ABL1 (0.37) NPC1RAB9ASCN9ACYP1A2CYP3A4
SCHEMBL5337105 0.78 EGFR (0.53) NPC1RAB9ASMN1; SMN2LMNACYP1A2
SCHEMBL5337149 0.75 NPC1 (0.42) NPC1RAB9ASMN1; SMN2SCN4ASCN9A
SCHEMBL407150 0.75 BACE1 (0.46) SCN4ALMNAGAAPKMPDE10A
SCHEMBL406789 0.72 BACE1 (0.41) NPC1RAB9ASMN1; SMN2CYP1A2GAA
SCHEMBL2777134 0.68 GPR3 (0.33) NPC1RAB9ASMN1; SMN2SCN4ASCN9A
SCHEMBL28297805 0.68 GPR3 (0.44) NPC1RAB9ASMN1; SMN2SCN4ASCN9A
SCHEMBL406493 0.68 BACE1 (0.42) CYP1A2HTTDYRK1A
SCHEMBL407628 0.68 NR4A2 (0.41) SMN1; SMN2USP2LMNACYP1A2ALOX15
SCHEMBL2303882 0.68 CYP1A2 (0.45) LMNACYP1A2GAA

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 NPC1 1268/4885RAB9A 4143/4885SMN1; SMN2 3578/4885
US-20030216571-A1 Antiallergens; antiinflammatory agents CYSLTR2, CYSLTR1, LTC4S NPC1 2305/4885RAB9A 4766/4885SMN1; SMN2 3963/4885

“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.