SCHEMBL2969264

SCHEMBL2969264

C=CCn1ccc(C(=O)c2ccc(CCC)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.48
THRA P10827 5/20 0.40
PLK1 P53350 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PLA2G4A P47712 1/20 0.37
CNR2 P34972 1/20 0.36
POLB P06746 3/20 0.36
GAA P10253 3/20 0.36
CTDSP1 Q9GZU7 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL2978805 0.84 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL2981217 0.73 PLA2G4A (0.33) THRBALDH1A1L3MBTL1PLA2G4AKDM4E
SCHEMBL2981218 0.73 PLA2G4A (0.33) THRBALDH1A1L3MBTL1PLA2G4AKDM4E
SCHEMBL2718697 0.73 THRB (0.49) THRBTHRAPLK1ALDH1A1KMT2A
SCHEMBL28040263 0.73 SMN1; SMN2 (0.48) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL22660142 0.71 CYP1A2 (0.45) THRBALDH1A1KMT2AMEN1NPC1
SCHEMBL9861628 0.70 PLK1 (0.64) THRBTHRAPLK1ALDH1A1KMT2A
SCHEMBL4904680 0.66 THRB (1.00) THRBTHRAPLK1ALDH1A1KMT2A
SCHEMBL4396484 0.65 PLK1 (0.62) THRBTHRAPLK1ALDH1A1KMT2A
SCHEMBL1483217 0.65 KMT2A (0.64) THRBTHRAPLK1ALDH1A1KMT2A

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
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 EP 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-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 THRB 600/4885THRA 635/4885PLK1 4867/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 THRB 637/4885THRA 734/4885PLK1 4852/4885

“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.