SCHEMBL3570928

SCHEMBL3570928

O=C(O)c1cccc2nc(C(F)(F)F)oc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.56
ELANE P08246 8/20 0.54
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.40
ESR1 P03372 1/20 0.40
MAPT P10636 1/20 0.40
MAPK10 P53779 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
CNR2 P34972 1/20 0.38
C1R P00736 1/20 0.38
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE10A Q9Y233 1/20 0.36
MEN1 O00255 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
SCHEMBL4310699 0.84 DHODH (0.56) DHODHELANEALDH1A1KDM4EKMT2A
SCHEMBL30395267 0.79 DHODH (0.60) DHODHALDH1A1KDM4EKMT2AESR1
SCHEMBL6216739 0.79 DHODH (0.72) DHODHESR1MAPT
SCHEMBL441954 0.77 C1R (0.64) DHODHALDH1A1HPGDTAS2R14CNR2
SCHEMBL441953 0.76 DHODH (0.65) DHODHALDH1A1KDM4EKMT2AMAPT
SCHEMBL1340553 0.76 MAPT (0.63) DHODHELANEALDH1A1KDM4EHPGD
SCHEMBL6239005 0.76 DHODH (0.60) DHODHALDH1A1KDM4EKMT2AESR1
SCHEMBL121400 0.74 DHODH (0.94) DHODHELANEALDH1A1KDM4EKMT2A
SCHEMBL442206 0.74 DHODH (0.62) DHODHALDH1A1KDM4EKMT2AESR1
SCHEMBL23029795 0.73 ELANE (0.62) ELANE

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
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 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-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 DHODH 2452/4885ELANE 3398/4885ALDH1A1 934/4885

“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.