SCHEMBL17764431

SCHEMBL17764431

CCc1ccc(NC(=O)c2cc(Br)cc(-c3cc(F)cc(CNC(=O)OC(C)(C)C)c3)c2)c(CC(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.45
▸ SUCNR1 Q9BXA5 3/20 0.42
▸ NAMPT P43490 1/20 0.36
▸ GRM2 Q14416 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ NR1H4 Q96RI1 2/20 0.33
▸ CFD P00746 1/20 0.33
▸ F11 P03951 1/20 0.33
▸ TPSB2 P20231 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ FPR3 P25089 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL16410465 0.94 HDAC1 (0.41) HDAC1SUCNR1NAMPTGRM2L3MBTL1
SCHEMBL17764497 0.90 SUCNR1 (0.52) HDAC1SUCNR1NAMPTNR1H4CFD
SCHEMBL16397314 0.90 SUCNR1 (0.49) HDAC1SUCNR1NR1H4CFDF11
SCHEMBL17764279 0.85 SUCNR1 (0.50) HDAC1SUCNR1CFDF11TPSB2
SCHEMBL16409648 0.84 HDAC1 (0.47) HDAC1SUCNR1NAMPTCFDF11
SCHEMBL16396451 0.84 HDAC1 (0.44) HDAC1SUCNR1NAMPTHDAC6NR1H4
SCHEMBL17764426 0.82 MAPT (0.37) HDAC1SUCNR1L3MBTL1MEN1KMT2A
SCHEMBL17764378 0.81 SUCNR1 (0.51) HDAC1SUCNR1CFDF11TPSB2
SCHEMBL16396992 0.80 SUCNR1 (0.60) HDAC1SUCNR1NR1H4CFDF11
SCHEMBL16410356 0.79 HDAC1 (0.45) HDAC1SUCNR1NAMPTCFDF11

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 1 patent. 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

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 4670/4885NAMPT 1164/4885

“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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