SCHEMBL13645741

SCHEMBL13645741

CC(=O)NC(C)CC(=O)Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
NAPRT Q6XQN6 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MTNR1A P48039 6/20 0.51
MTNR1B P49286 6/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 1/20 0.50
SCN3A Q9NY46 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL3021548 0.80 LMNA (0.86) TSHRLMNAHPGDMAPTHDAC3
SCHEMBL5907668 0.79 HPGD (0.67) TSHRLMNAHPGDMEN1KMT2A
SCHEMBL14223265 0.79 HPGD (0.58) TSHRLMNAHPGDMAPTSCN3A
SCHEMBL28633645 0.78 LMNA (0.56) TSHRLMNAHPGDMAPTSCN3A
SCHEMBL9810823 0.77 LMNA (0.65) TSHRLMNAHPGDMAPTSCN3A
SCHEMBL29828407 0.77 HPGD (0.65) TSHRLMNAHPGDMAPTSCN3A
SCHEMBL11430509 0.77 LMNA (0.65) TSHRLMNAHPGDMAPTSCN3A
SCHEMBL3026961 0.77 HPGD (0.65) TSHRLMNAHPGDMAPTSCN3A
SCHEMBL30805754 0.76 CA1 (0.63) TSHRLMNAHPGDMEN1KMT2A
SCHEMBL7544322 0.76 CA1 (0.63) TSHRLMNAHPGDMEN1KMT2A

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-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-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 TSHR 3257/4885LMNA 4876/4885HPGD 2052/4885

“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.