SCHEMBL13617224

SCHEMBL13617224

CC(C)(C)c1ccc(NO)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
TYR P14679 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC3 O15379 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
XBP1 P17861 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
KIF11 P52732 1/20 0.48
TSHR P16473 1/20 0.48
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 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
SCHEMBL31212783 0.78 TSHR (0.52) LMNATYRHDAC1HDAC3HDAC11
SCHEMBL49741 0.78 TSHR (0.52) LMNATYRHDAC1HDAC3HDAC11
SCHEMBL31212779 0.78 TSHR (0.52) LMNATYRHDAC1HDAC3HDAC11
SCHEMBL2392625 0.78 TSHR (0.52) LMNATYRHDAC1HDAC3HDAC11
SCHEMBL424728 0.76 TSHR (0.73) LMNATYRHDAC1NPC1RAB9A
SCHEMBL8410091 0.76 IDO1 (0.67) RAB9ASMN1; SMN2MAPTMAPK1HTT
SCHEMBL4079660 0.76 KIF11 (0.54) LMNATYRHDAC1HDAC3HDAC11
SCHEMBL18535783 0.75 MEN1 (0.62) LMNATYRHDAC1NPC1RAB9A
SCHEMBL13618776 0.74 GABRA1 (0.52) LMNATYRHDAC1HDAC3HDAC11
SCHEMBL19718459 0.74 TSHR (0.48) LMNATYRHDAC1HDAC3HDAC11

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
CN-109970711-A Red hot activation delayed fluorescence material and preparation method thereof, electroluminescent device 武汉华星光电半导体显示技术有限公司 2019-07-05 CN disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 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-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 LMNA 4130/4885TYR 3715/4885HDAC1 886/4885

“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.