SCHEMBL17264289

SCHEMBL17264289

Cc1ccc(C(N)=O)cc1-n1c(C)cc2c1CC(C)(C)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.41
HSP90AB1 P08238 3/20 0.39
MAPK14 Q16539 1/20 0.39
ALDH1A1 P00352 4/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MYC P01106 1/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM1A O60341 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL1219970 0.79 KMT2A (0.58) HSP90AA1HSP90AB1ALDH1A1MEN1KMT2A
SCHEMBL1746274 0.76 ALDH1A1 (0.41) HSP90AA1HSP90AB1MAPK14ALDH1A1POLB
SCHEMBL1746273 0.76 ALDH1A1 (0.41) HSP90AA1HSP90AB1MAPK14ALDH1A1POLB
SCHEMBL1746111 0.75 HSP90AA1 (0.42) HSP90AA1HSP90AB1MAPK14ALDH1A1POLB
SCHEMBL1746115 0.75 HSP90AA1 (0.42) HSP90AA1HSP90AB1MAPK14ALDH1A1POLB
SCHEMBL1220730 0.70 KMT2A (0.55) HSP90AA1HSP90AB1ALDH1A1MEN1KMT2A
SCHEMBL1220639 0.68 KMT2A (0.56) HSP90AA1HSP90AB1ALDH1A1MEN1KMT2A
SCHEMBL1220269 0.67 KMT2A (0.51) HSP90AA1HSP90AB1ALDH1A1MEN1KMT2A
SCHEMBL1220323 0.66 HSP90AA1 (0.52) HSP90AA1HSP90AB1ALDH1A1MEN1KMT2A
SCHEMBL1221436 0.66 KMT2A (0.47) HSP90AA1HSP90AB1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150329493-A1 OMEGA-AMINO ACID DERIVATIVES OF BENZENE, PYRIDINE, AND PYRIDAZINE COMPOUNDS HALL STEVEN E (US) 2015-11-19 US disclosed
US-20150329493-A1 OMEGA-AMINO ACID DERIVATIVES OF BENZENE, PYRIDINE, AND PYRIDAZINE COMPOUNDS HALL STEVEN E (US) 2015-11-19 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-20150329493-A1 OMEGA-AMINO ACID DERIVATIVES OF BENZENE, PYRIDINE, AND PYRIDAZINE COMPOUNDS LTB4R, LTB4R2, PTGER4 HSP90AA1 3559/4885HSP90AB1 3629/4885MAPK14 2079/4885

“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.