SCHEMBL18286152

SCHEMBL18286152

COC(=O)c1cccc(Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
AURKA O14965 8/20 0.52
MAPK1 P28482 2/20 0.52
LMNA P02545 2/20 0.52
IDH2 P48735 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
THRB P10828 1/20 0.49
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL18286208 0.85 AURKA (0.60) MAPTAURKALMNAIDH2L3MBTL1
SCHEMBL2463141 0.81 MAPT (0.52) MAPTMAPK1LMNAIDH2L3MBTL1
SCHEMBL2462190 0.79 MAPK1 (0.67) MAPTMAPK1LMNAL3MBTL1AKR1C3
SCHEMBL3493237 0.78 PHGDH (0.58) MAPTAURKAMAPK1L3MBTL1THRB
SCHEMBL18286170 0.76 AURKA (0.58) MAPTAURKALMNASMN1; SMN2ALDH1A1
SCHEMBL21960124 0.75 MAPT (0.64) MAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL7528425 0.74 MAPT (1.00) MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL9271694 0.74 RXFP1 (0.70) MAPTLMNASMN1; SMN2AKR1C3AKR1C2
SCHEMBL11367980 0.73 AKR1C3 (0.56) MAPTMAPK1LMNAL3MBTL1SMN1; SMN2
SCHEMBL25392363 0.72 LMNA (0.76) MAPTMAPK1LMNAL3MBTL1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10758522-B2 Small molecule analogs of the nemo binding peptide THE SCRIPPS RESEARCH INSTITUTE (US) 2020-09-01 US disclosed
US-20180169078-A1 Small Molecule Analogs of the Nemo Binding Peptide UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-06-21 US disclosed
EP-3302468-A1 SMALL MOLECULE ANALOGS OF THE NEMO BINDING PEPTIDE The Scripps Research Institute (US) 2018-04-11 EP disclosed
WO-2016196117-A1 SMALL MOLECULE ANALOGS OF THE NEMO BINDING PEPTIDE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-08 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 (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-10758522-B2 Small molecule analogs of the nemo binding peptide IKBKG, NFKBIA, NFKB1 MAPT 932/4885AURKA 1864/4885MAPK1 546/4885
US-20180169078-A1 Small Molecule Analogs of the Nemo Binding Peptide IKBKG, NFKBIA, NFKB1 MAPT 932/4885AURKA 1864/4885MAPK1 546/4885

“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.