SCHEMBL29977890

SCHEMBL29977890

Cc1c(N)cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HNF4A P41235 3/20 0.46
TDP1 Q9NUW8 6/20 0.40
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 3/20 0.40
TSHR P16473 3/20 0.36
ACHE P22303 1/20 0.34
MPI P34949 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL651789 0.83 MAPT (0.50) MAPTMAPK1NPSR1HNF4ATDP1
SCHEMBL15427804 0.72 ACHE (0.42) ACHE
SCHEMBL11503264 0.72 MAPT (0.41) MAPTMAPK1NPSR1HNF4ATDP1
SCHEMBL15415386 0.70 TSHR (0.43) MAPTMAPK1NPSR1HNF4ATDP1
SCHEMBL11209520 0.69 HNF4A (0.43) MAPTMAPK1NPSR1HNF4AALDH1A1
SCHEMBL19509344 0.68 HNF4A (0.53) MAPTMAPK1NPSR1HNF4ATDP1
SCHEMBL15416260 0.68 ALDH1A1 (0.46) MAPTMAPK1NPSR1TDP1ALDH1A1
SCHEMBL6513444 0.67 TDP1 (0.50) MAPTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL15428169 0.67 TSHR (0.43) MAPTMAPK1NPSR1TDP1ALDH1A1
SCHEMBL4349338 0.66 TSHR (0.48) MAPTTDP1ALDH1A1CYP3A4TSHR

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
CN-117177666-A Creeping pest attractant, creeping pest attracting method and creeping pest catcher 大日本除虫菊株式会社 2023-12-05 CN disclosed
WO-2022234747-A1 CRAWLING PEST ATTRACTANT, CRAWLING PEST-ATTRACTING METHOD, AND CRAWLING PEST-TRAPPING DEVICE 大日本除蟲菊株式会社 2022-11-10 WO disclosed
US-11484029-B2 Method for controlling building-inhabiting pest and composition for controlling building-inhabiting pest MITSUI CHEMICALS AGRO, INC. (JP) 2022-11-01 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-11484029-B2 Method for controlling building-inhabiting pest and composition for controlling building-inhabiting pest IDO1, IDO2, KDM2A MAPT 3546/4885MAPK1 1620/4885NPSR1 1033/4885

“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.