SCHEMBL16410346

SCHEMBL16410346

C=Cc1sc(-c2cc(F)cc(CNC(=O)OC(C)(C)C)c2)nc1C(=O)Nc1ccccc1CC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ SUCNR1 Q9BXA5 2/20 0.35
▸ GLS O94925 5/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GRM2 Q14416 1/20 0.33
▸ CFD P00746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL17764474 0.94 SUCNR1 (0.40) HDAC1DYRK1ASUCNR1GLSLMNA
SCHEMBL16409647 0.89 HDAC1 (0.38) HDAC1DYRK1ASUCNR1GLSMAPT
SCHEMBL16410308 0.88 LMNA (0.41) HDAC1DYRK1ASUCNR1GLSMAPT
SCHEMBL16410431 0.88 HDAC1 (0.37) HDAC1DYRK1ASUCNR1GLSMAPT
SCHEMBL16410326 0.86 HDAC1 (0.36) HDAC1DYRK1ASUCNR1GLSMAPT
SCHEMBL17764428 0.83 SUCNR1 (0.44) HDAC1DYRK1ASUCNR1GLSLMNA
SCHEMBL17764316 0.82 SUCNR1 (0.41) HDAC1DYRK1ASUCNR1GLSLMNA
SCHEMBL17764353 0.82 SUCNR1 (0.41) HDAC1DYRK1ASUCNR1GLSLMNA
SCHEMBL16410323 0.81 DYRK1A (0.37) HDAC1DYRK1AGLSMAPTTDP1
SCHEMBL17764311 0.80 SUCNR1 (0.41) HDAC1DYRK1ASUCNR1GLSLMNA

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-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 — — US disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 — — US disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 — — WO 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-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof CFD, CFH, CFB HDAC1 3377/4885DYRK1A 3832/4885SUCNR1 4670/4885

“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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