SCHEMBL4755263

SCHEMBL4755263

C=CCNc1cccnc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RRM2 P31350 1/20 0.47
HCAR3 P49019 2/20 0.47
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
ALOX15 P16050 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
AGER Q15109 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
MYC P01106 1/20 0.39
ATM Q13315 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL13978034 0.79 KDM4E (0.53) KDM4EALDH1A1MAPTALOX15CYP3A4
SCHEMBL8487866 0.75 KDM4E (0.46) KDM4EALDH1A1MAPTALOX15CYP3A4
SCHEMBL2013556 0.75 KDM4E (0.46) KDM4EALDH1A1MAPTALOX15CYP3A4
SCHEMBL25466110 0.75 KDM6B (0.52) HCAR3KDM4EALDH1A1MAPTALOX15
SCHEMBL2946120 0.75 DHODH (0.54) HCAR3KDM4EALDH1A1MAPTALOX15
SCHEMBL1467625 0.74 MAOA (0.54) KDM4EALDH1A1MAPTALOX15CYP3A4
SCHEMBL5515567 0.74 KDM4E (0.47) KDM4EALDH1A1MAPTALOX15CYP3A4
SCHEMBL8999006 0.73 RRM2 (0.48) RRM2KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL27530818 0.73 RRM2 (0.48) RRM2KDM4EALDH1A1MAPTCYP3A4
SCHEMBL15467305 0.73 RRM2 (0.48) RRM2HCAR3KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101466681-A Tumor necrosis factor alpha inhibitors and their use in the treatment of human diseases AVANIR PHARMACEUTICALS (US) 2009-06-24 CN disclosed
EP-1996553-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES Avanir Pharmaceuticals (US) 2008-12-03 EP disclosed
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2008-06-12 US disclosed
WO-2007109251-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2007-09-27 WO disclosed
US-5364869-A Treatment of hypertension and congestive heart failure ABBOTT LABORATORIES (US) 1994-11-15 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 (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-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES TNF, TNFRSF1A, TNFRSF9 RRM2 1979/4885HCAR3 1559/4885KDM4E 4691/4885

“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.