SCHEMBL1335619

SCHEMBL1335619

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSA P10619 1/20 0.38
BACE1 P56817 1/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
MCTS1 Q9ULC4 1/20 0.37
ACLY P53396 1/20 0.36
GGPS1 O95749 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
SLC5A1 P13866 2/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
RPS6KA3 P51812 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ALOX5AP P20292 1/20 0.35

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
SCHEMBL1337746 0.90 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2ACTSA
SCHEMBL1337828 0.84 TP53 (0.47) MAPTMEN1KMT2A
SCHEMBL1335751 0.82 DHODH (0.44) BACE1
SCHEMBL1337914 0.82 KDM4E (0.48) ALDH1A1MAPTMEN1KMT2ABACE1
SCHEMBL29709289 0.81 SMN1; SMN2 (0.49) MEN1KMT2ARPS6KA3FFAR4CYP2C9
SCHEMBL1336932 0.81 NR4A2 (0.44) MEN1KMT2ACTSASLC16A3SLC16A1
SCHEMBL1337329 0.81 SMN1; SMN2 (0.49) MEN1KMT2ARPS6KA3FFAR4CYP2C9
SCHEMBL1335616 0.73 TP53 (0.54) MAPTBACE1
SCHEMBL1337634 0.73 TP53 (0.54) MAPT
SCHEMBL1336585 0.73 FFAR4 (0.47) FFAR4

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 ALDH1A1 109/4885MAPT 3142/4885MEN1 4837/4885
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR ALDH1A1 109/4885MAPT 3142/4885MEN1 4837/4885

“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.