SCHEMBL16410326

SCHEMBL16410326

CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1nc(-c2cc(F)cc(CNC(=O)OC(C)(C)C)c2)sc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.36
▸ SUCNR1 Q9BXA5 2/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ TP53 P04637 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ GLS O94925 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HDAC3 O15379 3/20 0.33
▸ ACACB O00763 3/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ ACACA Q13085 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ GRM2 Q14416 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
SCHEMBL17764311 0.94 SUCNR1 (0.41) HDAC1SUCNR1DYRK1ATP53ADORA3
SCHEMBL16409647 0.89 HDAC1 (0.38) HDAC1SUCNR1DYRK1AGLSMAPT
SCHEMBL16410431 0.87 HDAC1 (0.37) HDAC1SUCNR1DYRK1AGLSMAPT
SCHEMBL16410308 0.87 LMNA (0.41) HDAC1SUCNR1DYRK1ATP53GLS
SCHEMBL16410346 0.86 HDAC1 (0.36) HDAC1SUCNR1DYRK1AGLSMAPT
SCHEMBL17764428 0.83 SUCNR1 (0.44) HDAC1SUCNR1DYRK1AGLSLMNA
SCHEMBL17764316 0.81 SUCNR1 (0.41) HDAC1SUCNR1DYRK1AGLSLMNA
SCHEMBL17764353 0.81 SUCNR1 (0.41) HDAC1SUCNR1DYRK1AGLSLMNA
SCHEMBL17764474 0.80 SUCNR1 (0.40) HDAC1SUCNR1DYRK1AGLSLMNA
SCHEMBL16410323 0.80 DYRK1A (0.37) HDAC1DYRK1ATP53GLSMAPT

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 3377/4885SUCNR1 4670/4885DYRK1A 3832/4885

“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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