SCHEMBL1335751

SCHEMBL1335751

Nc1c(F)cc(-c2cccc(OC(F)(F)F)c2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.44
XDH P47989 1/20 0.43
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
BACE1 P56817 2/20 0.40
KCNH2 Q12809 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
CTSD P07339 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
KIF11 P52732 1/20 0.39
ATR Q13535 1/20 0.39
PRMT1 Q99873 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PTGES O14684 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL1337684 0.90 DHODH (0.48) DHODHXDHADORA2AADORA1BACE1
SCHEMBL1335619 0.82 ALDH1A1 (0.40) BACE1
SCHEMBL3728641 0.81 ALDH1A1 (0.52) DHODHXDHADORA2AADORA1BACE1
SCHEMBL1337687 0.79 XDH (0.47) DHODHXDHADORA2AADORA1BACE1
SCHEMBL1337828 0.79 TP53 (0.47) DHODH
SCHEMBL1337914 0.77 KDM4E (0.48) DHODHBACE1
SCHEMBL1336932 0.76 NR4A2 (0.44) DHODH
SCHEMBL1337329 0.76 SMN1; SMN2 (0.49) DHODH
SCHEMBL29709289 0.76 SMN1; SMN2 (0.49) DHODH
SCHEMBL1336585 0.76 FFAR4 (0.47) DHODHPTGS1

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 360/4885ADORA2A 2462/4885
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR DHODH 1/4885XDH 360/4885ADORA2A 2462/4885

“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.