SCHEMBL19732034

SCHEMBL19732034

C/C=C\c1c(C)sc2cccnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.37
CLK1 P49759 1/20 0.37
HSP90AA1 P07900 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 2/20 0.32
CCR1 P32246 4/20 0.31
CCR8 P51685 4/20 0.31
CCR5 P51681 3/20 0.31
HTT P42858 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
TP53 P04637 1/20 0.31
MMP2 P08253 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
MMP9 P14780 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL13763321 0.78 HSP90AA1 (0.48) LIMK1CLK1HSP90AA1L3MBTL1NPC1
SCHEMBL15595447 0.72 LIMK1 (0.41) LIMK1CLK1HSP90AA1L3MBTL1NPC1
SCHEMBL21895264 0.72 GPR3 (0.43) HSP90AA1L3MBTL1LMNAKDM4ECYP3A4
SCHEMBL3967344 0.72 LIMK1 (0.41) LIMK1CLK1HSP90AA1L3MBTL1NPC1
SCHEMBL14173744 0.72 LIMK1 (0.41) LIMK1CLK1HSP90AA1L3MBTL1NPC1
SCHEMBL10033652 0.69 HSP90AA1 (0.42) LIMK1CLK1HSP90AA1L3MBTL1NPC1
SCHEMBL19053803 0.69 L3MBTL1 (0.62) HSP90AA1L3MBTL1NPC1LMNACCR1
SCHEMBL20858439 0.69 KDM4E (0.36) LIMK1CLK1LMNAKDM4EMAPT
SCHEMBL19731973 0.69 LIMK1 (0.34) LIMK1CLK1LMNAKDM4EMAPT
SCHEMBL10054253 0.69 LIMK1 (0.57) LIMK1CLK1HSP90AA1L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968229-B2 Seven-membered ring compounds IDEMITSU KOSAN CO., LTD. (JP) 2021-04-06 US disclosed
US-20190119291-A1 SEVEN-MEMBERED RING COMPOUNDS IDEMITSU KOSAN CO., LTD. (JP) 2019-04-25 US disclosed
US-20170362241-A1 1-FUNCTIONALIZED DIBENZOFURANS AND DIBENZOTHIOPHENES FOR ORGANIC LIGHT EMITTING DIODES (OLEDS) IDEMITSU KOSAN CO., LTD. (JP) 2017-12-21 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 (3 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-20190119291-A1 SEVEN-MEMBERED RING COMPOUNDS MCM7, XPO7, LUC7L2 LIMK1 2390/4885CLK1 4500/4885HSP90AA1 4264/4885
US-10968229-B2 Seven-membered ring compounds MCM7, XPO7, LUC7L2 LIMK1 2390/4885CLK1 4500/4885HSP90AA1 4264/4885
US-20170362241-A1 1-FUNCTIONALIZED DIBENZOFURANS AND DIBENZOTHIOPHENES FOR ORGANIC LIGHT EMITTING DIODES (OLEDS) OCIAD1, OCIAD2, DDT LIMK1 1025/4885CLK1 3452/4885HSP90AA1 3822/4885

“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.