SCHEMBL13645822

SCHEMBL13645822

CC(=O)NC(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 1/20 0.50
PHGDH O43175 1/20 0.49
ACACB O00763 4/20 0.48
ACACA Q13085 1/20 0.48
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL16602097 1.00 NPC1 (0.56) NPC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL8310016 1.00 NPC1 (0.56) NPC1ALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL30140874 0.98 NPC1 (0.55) NPC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL25387995 0.86 ALDH1A1 (0.57) NPC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL15524362 0.86 ALDH1A1 (0.57) NPC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL14511443 0.85 KMT2A (0.53) NPC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL14511442 0.85 KMT2A (0.53) NPC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL6984561 0.83 ALDH1A1 (0.54) NPC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL29111826 0.83 ALDH1A1 (0.52) NPC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL28538251 0.82 ALDH1A1 (0.60) NPC1ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109942499-B Quinazoline derivative and preparation method and application thereof 湖南中医药大学 2022-03-22 CN disclosed
CN-109942499-A Quinazoline derivant and its preparation method and application 湖南中医药大学 2019-06-28 CN disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 NPC1 1668/4885ALDH1A1 208/4885MEN1 728/4885

“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.