SCHEMBL4733872

SCHEMBL4733872

O=C(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccc2[nH]nnc2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.37
RAB9A P51151 2/20 0.36
HDAC1 Q13547 5/20 0.33
HDAC2 Q92769 5/20 0.33
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ESR1 P03372 2/20 0.32
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 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
SCHEMBL4732735 0.99 HDAC6 (0.39) HDAC6RAB9AHDAC1HDAC2MAPT
SCHEMBL4781266 0.99 HDAC6 (0.39) HDAC6RAB9AHDAC1HDAC2MAPT
SCHEMBL4733721 0.99 HDAC6 (0.39) HDAC6RAB9AHDAC1HDAC2MAPT
SCHEMBL4732261 0.98 HDAC6 (0.38) HDAC6RAB9AHDAC1HDAC2MAPT
SCHEMBL5597230 0.91 RAB9A (0.40) RAB9AMAPTALDH1A1KDM4ELMNA
SCHEMBL20306814 0.83 RAB9A (0.37) RAB9AMAPTGAAPKMALDH1A1
SCHEMBL29278219 0.79 ALDH1A1 (0.52) RAB9AMAPTALDH1A1LMNAESR1
SCHEMBL8468092 0.79 ALDH1A1 (0.52) RAB9AMAPTALDH1A1LMNAESR1
SCHEMBL29278218 0.79 ESR1 (0.51) RAB9AMAPTALDH1A1KDM4ELMNA
SCHEMBL4767440 0.77 HDAC1 (0.38) HDAC6RAB9AHDAC1HDAC2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008060931-A2 METHOD FOR PREPARING FLUORINATED BENZOTRIAZOLE COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-05-22 WO disclosed
US-20080114177-A1 METHOD FOR PREPARING FLUORINATED BENZOTRIAZOLE COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY 2008-05-15 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-20080114177-A1 METHOD FOR PREPARING FLUORINATED BENZOTRIAZOLE COMPOUNDS CYP2E1, FLI1, GABBR1 HDAC6 1352/4885RAB9A 4283/4885HDAC1 696/4885

“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.