SCHEMBL12759458

SCHEMBL12759458

Cc1cccc(-c2nc(CC(C)(C)C)n(C)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.49
RAB9A P51151 6/20 0.43
GRM2 Q14416 1/20 0.42
HSD17B2 P37059 1/20 0.42
NPC1 O15118 6/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
PDE10A Q9Y233 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
KCNT1 Q5JUK3 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 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
SCHEMBL12832520 0.82 MAPT (0.44) MAPTSMN1; SMN2LMNATDP1KDM4E
SCHEMBL27009338 0.78 TDP2 (0.52) TDP2RAB9AHSD17B2NPC1NR1H2
SCHEMBL12776145 0.72 NPC1 (0.35) RAB9ANPC1SMN1; SMN2PDE10AMAPK1
SCHEMBL12776140 0.70 RAB9A (0.52) TDP2RAB9ANPC1TP53MAPT
SCHEMBL12776138 0.70 MAPK1 (0.32) PDE10AMAPK1MEN1KMT2A
SCHEMBL11553734 0.70 TDP2 (0.53) TDP2RAB9AHSD17B2NPC1NR1H2
SCHEMBL3766697 0.68 RAB9A (0.73) RAB9ANPC1TP53SMN1; SMN2HRH4
SCHEMBL11560347 0.68 TDP2 (0.48) TDP2RAB9AHSD17B2NPC1NR1H2
SCHEMBL17207294 0.68 PRKD3 (0.36) GRM2PDE10AMEN1KMT2AKDM4E
SCHEMBL14297582 0.67 MEN1 (0.33) TDP2RAB9ANPC1TP53MAPT

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-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device UDC IRELAND LTD (IE) 2015-10-29 US disclosed
US-9062084-B2 Method of forming metal complex compound, and organic electroluminescence device UDC Ireland (IE) 2015-06-23 US disclosed
US-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2011-03-03 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-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE ZFR, PORCN, OR10J3 TDP2 3856/4885RAB9A 2280/4885GRM2 1816/4885
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device ZFR, PORCN, OR10J3 TDP2 3856/4885RAB9A 2280/4885GRM2 1816/4885

“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.