SCHEMBL1337684

SCHEMBL1337684

Nc1c(F)cc(-c2cccc(OC(F)(F)F)c2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.48
XDH P47989 1/20 0.48
ADORA1 P30542 2/20 0.44
ADORA2A P29274 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
KIF11 P52732 1/20 0.43
CTSD P07339 1/20 0.43
BACE1 P56817 1/20 0.43
BACE2 Q9Y5Z0 1/20 0.43
ATR Q13535 1/20 0.43
PRMT1 Q99873 1/20 0.42
PTGES2 Q9H7Z7 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
GALR1 P47211 1/20 0.42
DYRK1A Q13627 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
SCHEMBL1335751 0.90 DHODH (0.44) DHODHXDHADORA1ADORA2AKCNH2
SCHEMBL1337687 0.85 XDH (0.47) DHODHXDHADORA1ADORA2AKCNH2
SCHEMBL21770975 0.81 XDH (0.51) XDHADORA1ADORA2AKCNH2SCN10A
SCHEMBL1335676 0.80 DRD1 (0.53) DHODHADORA1KCNH2CTSDBACE1
SCHEMBL1337746 0.80 ALDH1A1 (0.45) DHODHBACE1
SCHEMBL1335522 0.79 CYP3A4 (0.55) DHODHKCNH2BACE1DYRK1A
SCHEMBL1337217 0.79 TAAR1 (0.52) DHODHXDHADORA1ADORA2AKCNH2
SCHEMBL24180475 0.79 DHODH (0.49) DHODHXDHADORA1ADORA2AKCNH2
SCHEMBL5840598 0.78 SLC13A5 (0.51) DHODHXDHADORA1ADORA2AKCNH2
SCHEMBL2380991 0.78 XDH (0.49) DHODHXDHADORA1ADORA2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758474-B2 Immunomodulator and anti-inflammatory compounds INCOZEN THERAPEUTICS PVT. LTD. (IN) 2017-09-12 US disclosed
US-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS INCOZEN THERAPEUTICS PVT. LTD. (CH) 2014-08-07 US disclosed
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS RHIZEN PHARMACEUTICALS SA (FR) 2011-11-10 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 (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-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR DHODH 1/4885XDH 360/4885ADORA1 2707/4885
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR DHODH 1/4885XDH 360/4885ADORA1 2707/4885

“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.