SCHEMBL2491692

SCHEMBL2491692

COc1ccc(-c2c(C(N)=O)ccc(C(N)=O)c2N)c(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
POLB P06746 1/20 0.41
PDE4D Q08499 1/20 0.39
CHEK1 O14757 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ERN1 O75460 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4510130 0.82 MAPT (0.51) KDM4EMAPTTDP1POLBSMN1; SMN2
SCHEMBL17786273 0.81 HDAC4 (0.50) KDM4EHSD17B10MAPTTDP1HDAC4
SCHEMBL660605 0.79 MAPT (0.55) MAPTTDP1PDE4DSMN1; SMN2LMNA
SCHEMBL2464591 0.79 IKBKB (0.48) KDM4EHSD17B10L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL28473659 0.77 MAPT (0.53) MAPTTDP1PDE4DSMN1; SMN2LMNA
SCHEMBL27621848 0.76 HDAC4 (0.57) KDM4EMAPTTDP1HDAC4HDAC2
SCHEMBL9765827 0.73 MAPT (0.49) KDM4EHSD17B10MAPTTDP1POLB
SCHEMBL1496439 0.73 NNMT (0.46) KDM4EMAPTTDP1POLBSMN1; SMN2
SCHEMBL3421092 0.71 MAPT (0.50) KDM4EMAPTTDP1POLBPDE4D
SCHEMBL10407306 0.71 TDP1 (0.50) KDM4EMAPTTDP1POLBPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US claimed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US claimed

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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 KDM4E 4402/4885HSD17B10 1069/4885MAPT 586/4885

“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.