SCHEMBL19625786

SCHEMBL19625786

CC(C)(C)NC(=O)c1ccc([18F])cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.50
PTPN1 P18031 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
MITF O75030 1/20 0.47
MAOB P27338 1/20 0.47
AOC3 Q16853 1/20 0.47
CYP2D6 P10635 1/20 0.46
SNCA P37840 1/20 0.46

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
SCHEMBL6417124 1.00 LMNA (0.50) LMNAMEN1KMT2AHTTPTPN1
SCHEMBL17865779 0.89 LMNA (0.58) LMNAHTTMAOBAOC3
SCHEMBL24554348 0.84 MEN1 (0.47) MEN1KMT2AHTTPTPN1CES2
SCHEMBL1233194 0.84 MEN1 (0.47) MEN1KMT2AHTTPTPN1CES2
SCHEMBL2522600 0.83 LMNA (0.53) LMNAKMT2AHTTMAOBAOC3
SCHEMBL1742088 0.82 EGLN1 (0.50) MEN1KMT2APTPN1CES2CES1
SCHEMBL14009645 0.82 MAOB (0.65) LMNAMEN1KMT2AHTTMAOB
SCHEMBL7753604 0.82 TRPV1 (0.59) LMNAHTTPTPN1CES2CES1
SCHEMBL3757683 0.81 NPC1 (0.52) MEN1KMT2APTPN1NPC1RAB9A
SCHEMBL12206267 0.81 KCNN4 (0.48) MEN1KMT2APTPN1CES2CES1

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-20170333577-A1 QUINOLINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE IN DIAGNOSIS Westfälische Wilhelms-Universität Münster (DE) 2017-11-23 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-20170333577-A1 QUINOLINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE IN DIAGNOSIS S100A9, S100A4, S100A10 LMNA 861/4885MEN1 3766/4885KMT2A 3628/4885

“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.