SCHEMBL17764271

SCHEMBL17764271

Cc1ccc(CC(=O)O)c(NC(=O)c2nc(-c3cc(F)cc(CNC(=O)OC(C)(C)C)c3)sc2Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ SUCNR1 Q9BXA5 2/20 0.35
▸ GRM2 Q14416 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ GLS O94925 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL16410323 0.94 DYRK1A (0.37) HDAC1DYRK1AGRM2TRPV1SMN1; SMN2
SCHEMBL17764428 0.91 SUCNR1 (0.44) HDAC1DYRK1ASUCNR1GLSKDM4E
SCHEMBL16409647 0.85 HDAC1 (0.38) HDAC1DYRK1ASUCNR1GRM2MAPT
SCHEMBL17764316 0.82 SUCNR1 (0.41) HDAC1DYRK1ASUCNR1GRM2GLS
SCHEMBL17764353 0.82 SUCNR1 (0.41) HDAC1DYRK1ASUCNR1GLSKDM4E
SCHEMBL17764474 0.81 SUCNR1 (0.40) HDAC1DYRK1ASUCNR1GRM2GLS
SCHEMBL17764311 0.80 SUCNR1 (0.41) HDAC1DYRK1ASUCNR1TP53GLS
SCHEMBL16410431 0.76 HDAC1 (0.37) HDAC1DYRK1ASUCNR1GRM2MAPT
SCHEMBL16410308 0.76 LMNA (0.41) HDAC1DYRK1ASUCNR1GRM2MAPT
SCHEMBL16396398 0.75 CFD (0.38) SUCNR1SMN1; SMN2MAPTTP53POLB

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 3377/4885DYRK1A 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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