SCHEMBL7979818

SCHEMBL7979818

CNC(=O)C1(c2ccccc2)CCCCC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.72
AKR1C1 Q04828 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 2/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
P2RX7 Q99572 1/20 0.57
ALDH1A1 P00352 2/20 0.55
HDAC1 Q13547 2/20 0.55
ERCC1 P07992 1/20 0.54
ERCC4 Q92889 1/20 0.54
TSHR P16473 1/20 0.52
OPRL1 P41146 1/20 0.52
HSD11B1 P28845 1/20 0.51

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
SCHEMBL16639040 0.98 HDAC4 (0.71) HDAC4AKR1C1SMN1; SMN2HTTMEN1
SCHEMBL8572144 0.91 HDAC4 (0.59) HDAC4AKR1C1SMN1; SMN2HTTLMNA
SCHEMBL22027296 0.84 HDAC4 (0.51) HDAC4AKR1C1SMN1; SMN2HTTMEN1
SCHEMBL16132896 0.84 HDAC4 (1.00) HDAC4AKR1C1SMN1; SMN2HTTMEN1
SCHEMBL17502816 0.84 HDAC4 (1.00) HDAC4AKR1C1SMN1; SMN2HTTMEN1
SCHEMBL25460862 0.83 ALDH1A1 (0.70) HDAC4SMN1; SMN2LMNANPSR1L3MBTL1
SCHEMBL6544545 0.83 OPRM1 (0.57) HDAC4AKR1C1SMN1; SMN2HTTLMNA
SCHEMBL3521822 0.83 HDAC1 (0.55) HDAC4SMN1; SMN2L3MBTL1P2RX7ALDH1A1
SCHEMBL3520264 0.83 HDAC4 (0.71) HDAC4SMN1; SMN2NPSR1ALDH1A1HDAC1
SCHEMBL18400294 0.82 HDAC4 (0.72) HDAC4AKR1C1SMN1; SMN2HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 EP disclosed
US-7666869-B2 to provide an aliphatic nitrogen-containing 5-membered ring compound represented by the formula [I]:** Image-1wherein symbols in the formula have the following meanings;A: CH2 or S , antidiabetic agents MITSUBISHI TANABE PHARMA CORP. (JP) 2010-02-23 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO disclosed
US-20080153821-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2008-06-26 US disclosed
US-7332487-B2 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2008-02-19 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 (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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 HDAC4 327/4885AKR1C1 168/4885SMN1; SMN2 3061/4885
US-20080153821-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 HDAC4 2396/4885AKR1C1 1566/4885SMN1; SMN2 759/4885

“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.