SCHEMBL20989752

SCHEMBL20989752

CC(=O)N(C(C)=O)c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
LMNA P02545 2/20 0.66
HTT P42858 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
SERPINE1 P05121 12/20 0.56
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SLC6A9 P48067 1/20 0.51
SLC6A5 Q9Y345 1/20 0.51
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL12341340 0.79 MAPT (0.67) MAPTLMNAHTTL3MBTL1SERPINE1
SCHEMBL7091041 0.76 LMNA (0.70) MAPTLMNAHTTL3MBTL1SERPINE1
SCHEMBL20989755 0.76 MAPT (0.56) MAPTLMNAL3MBTL1MEN1KMT2A
SCHEMBL7087663 0.75 SERPINE1 (0.89) MAPTLMNAHTTL3MBTL1SERPINE1
SCHEMBL12341425 0.73 MAPT (0.57) MAPTLMNAHTTL3MBTL1SERPINE1
SCHEMBL19546473 0.73 MAPT (0.64) MAPTLMNAHTTL3MBTL1SERPINE1
SCHEMBL5329963 0.72 MAPT (0.64) MAPTLMNAHTTL3MBTL1SERPINE1
SCHEMBL7085648 0.72 LMNA (0.64) MAPTLMNAHTTL3MBTL1SERPINE1
SCHEMBL7084136 0.72 SERPINE1 (0.81) MAPTLMNAHTTL3MBTL1SERPINE1
SCHEMBL7091396 0.72 SERPINE1 (1.00) MAPTLMNAHTTL3MBTL1SERPINE1

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-20190134024-A1 ANTAGONISTS OF THE THYROID-STIMULATING HORMONE RECEPTOR (TSHR) FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-05-09 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-20190134024-A1 ANTAGONISTS OF THE THYROID-STIMULATING HORMONE RECEPTOR (TSHR) TSHR, TRHR, THRA MAPT 4654/4885LMNA 4762/4885HTT 1125/4885

“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.