SCHEMBL1335645

SCHEMBL1335645

CCc1cccc(-c2cc(F)c(N)c(F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 1/20 0.46
▸ PTGS2 P35354 1/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ NISCH Q9Y2I1 1/20 0.41
▸ AGXT P21549 2/20 0.40
▸ KIF11 P52732 2/20 0.40
▸ NOTUM Q6P988 1/20 0.39
▸ GRIN2B Q13224 2/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.38
▸ FGFR1 P11362 1/20 0.37
▸ PRMT6 Q96LA8 1/20 0.37
▸ PRKCI P41743 1/20 0.36
▸ DHFR P00374 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ HTR7 P34969 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
SCHEMBL1337835 0.89 BCL2 (0.41) BCL2PTGS2IDO1NISCHAGXT
SCHEMBL25914755 0.81 BCL2 (0.53) BCL2PTGS2IDO1NISCHAGXT
SCHEMBL29489424 0.80 BCL2 (0.62) BCL2PTGS2IDO1NISCHAGXT
SCHEMBL5547358 0.80 BCL2 (0.62) BCL2PTGS2IDO1NISCHAGXT
SCHEMBL24180478 0.79 BCL2 (0.50) BCL2PTGS2IDO1NISCHAGXT
SCHEMBL19923215 0.78 BCL2 (0.56) BCL2PTGS2IDO1NISCHAGXT
SCHEMBL9289390 0.77 TAAR1 (0.55) BCL2PTGS2IDO1NISCHAGXT
SCHEMBL13484318 0.77 MAOA (0.56) BCL2PTGS2IDO1NISCH
SCHEMBL1337731 0.76 BCL2 (0.59) BCL2PTGS2IDO1NISCHAGXT
SCHEMBL13197413 0.76 AGXT (0.61) BCL2PTGS2IDO1NISCHAGXT

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 BCL2 1855/4885PTGS2 62/4885IDO1 108/4885
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR BCL2 1855/4885PTGS2 62/4885IDO1 108/4885

“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.

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