SCHEMBL3099720

SCHEMBL3099720

CCn1c2ccccc2c2cc(CN3CCC(Oc4ccc(C(=O)CCCN(C)C)cc4)CC3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.51
THRB P10828 1/20 0.51
MAPT P10636 9/20 0.49
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 4/20 0.48
FAAH O00519 1/20 0.47
HPGD P15428 3/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MCHR2 Q969V1 3/20 0.45

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
SCHEMBL13158788 0.89 TP53 (0.53) TP53THRBMAPTALDH1A1KDM4E
SCHEMBL13158785 0.88 CNR2 (0.51) TP53THRBMAPTALDH1A1KDM4E
SCHEMBL14015520 0.85 KDM4E (0.46) ALDH1A1KDM4EHPGDMCHR2
SCHEMBL13158246 0.85 TP53 (0.54) TP53THRBMAPTALDH1A1KDM4E
SCHEMBL3109500 0.83 TP53 (0.50) TP53THRBMAPTALDH1A1KDM4E
SCHEMBL12437888 0.81 TP53 (0.47) TP53THRBMAPTALDH1A1KDM4E
SCHEMBL12437880 0.80 TP53 (0.49) TP53THRBMAPTALDH1A1KDM4E
SCHEMBL12437756 0.80 TP53 (0.59) TP53THRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL12437758 0.79 UTS2R (0.53) TP53THRBMAPTALDH1A1KDM4E
SCHEMBL12437803 0.79 UTS2R (0.46) TP53THRBMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-09-30 US disclosed
US-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-09-30 US disclosed
US-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-09-30 US disclosed
EP-2141994-A1 MULTI-RING COMPOUNDS AND USES THEREOF Avalon Pharmaceuticals (US) 2010-01-13 EP disclosed
WO-2008133975-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2008-11-06 WO disclosed
WO-2008133975-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2008-11-06 WO 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-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF TP53, BCOR, HPGDS TP53 1/4885THRB 2918/4885MAPT 4855/4885

“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.