SCHEMBL1077526

SCHEMBL1077526

CCOC(=O)Cc1c(Cl)nc(N)nc1NCc1cc(C)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 3/20 0.35
TLR7 Q9NYK1 8/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL1078774 0.84 TSHR (0.36) KDM4ETDP1L3MBTL1HTTTLR7
SCHEMBL1080379 0.84 NLRP3 (0.41) KDM4ETDP1L3MBTL1TLR7
SCHEMBL1788256 0.79 CYP3A4 (0.38) ALDH1A1LMNASMN1; SMN2KDM4ETDP1
SCHEMBL1058303 0.77 TLR7 (0.39) TLR7MAPK1
SCHEMBL1079499 0.77 TLR7 (0.36) KDM4ETDP1L3MBTL1TLR7MAPK1
SCHEMBL1059523 0.73 HSP90AA1 (0.43) ALDH1A1KDM4ETLR7
SCHEMBL1055154 0.73 MAPK1 (0.53) ALDH1A1LMNASMN1; SMN2KDM4ETDP1
SCHEMBL1059505 0.72 L3MBTL1 (0.54) ALDH1A1LMNASMN1; SMN2KDM4ETDP1
SCHEMBL1061420 0.71 MAPT (0.42) ALDH1A1LMNASMN1; SMN2KDM4ETDP1
SCHEMBL1054301 0.71 HSP90AA1 (0.46) TLR7

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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
EP-2273882-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES Poniard Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009139834-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. (US) 2009-11-19 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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PARK7, BDNF, BACE1 ALDH1A1 1159/4885LMNA 1212/4885SMN1; SMN2 11/4885

“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.