SCHEMBL12528795

SCHEMBL12528795

Cc1cccn1-c1ncccc1Br

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.36
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2A6 P11509 1/20 0.32
RPS6KA5 O75582 3/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
USP1 O94782 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL12528529 0.79 TRPV1 (0.41) MYCRPS6KA5
SCHEMBL12528798 0.76 MYC (0.34) MYCHSP90AA1L3MBTL1
SCHEMBL4882091 0.76 MYC (0.54) MYCNOS3NOS1NOS2NPC1
SCHEMBL12528738 0.75 MYC (0.33) MYC
SCHEMBL951211 0.75 ALDH1A1 (0.54) L3MBTL1ALDH1A1
SCHEMBL12528751 0.75 EPHX2 (0.48)
SCHEMBL12349890 0.72 RPS6KA5 (0.44) MYCCYP2E1CYP3A4CYP2A6RPS6KA5
SCHEMBL16794713 0.70 TYK2 (0.41) L3MBTL1ALDH1A1
SCHEMBL13105276 0.69 LMNA (0.35) MYCHSP90AA1L3MBTL1ALDH1A1
SCHEMBL12528725 0.68 SMN1; SMN2 (0.48) ALDH1A1

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-7968573-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-28 US disclosed
US-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME IKEGAMI HIROSHI 2011-03-24 US disclosed
US-7867949-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-11 US disclosed
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-16 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 (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-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, H1-2, H1-0 MYC 4314/4885CYP2E1 198/4885CYP3A4 453/4885
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same ACHE, DDT, CAT MYC 4138/4885CYP2E1 145/4885CYP3A4 328/4885

“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.