SCHEMBL27200596

SCHEMBL27200596

CC(C)C(C)Oc1ccc2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CYP1A2 P05177 1/20 0.43
SLC6A4 P31645 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
TTR P02766 1/20 0.43
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
NOS1 P29475 2/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL22926878 0.89 TTR (0.47) ALDH1A1CYP3A4HTR3EHTR3BCYP1A2
SCHEMBL27200602 0.84 RIPK1 (0.43) ALDH1A1CYP3A4HTR3EHTR3BCYP1A2
SCHEMBL27200610 0.80 RIPK1 (0.43) ALDH1A1CYP3A4HTR3EHTR3BCYP1A2
SCHEMBL27200606 0.77 TLR8 (0.43) ALDH1A1CYP3A4HTR3EHTR3BCYP1A2
SCHEMBL27200595 0.77 ALDH1A1 (0.45) ALDH1A1CYP3A4HTR3EHTR3BCYP1A2
SCHEMBL2952239 0.76 TTR (0.46) ALDH1A1CYP3A4HTR3EHTR3BCYP1A2
SCHEMBL27200611 0.75 CYP19A1 (0.48) ALDH1A1CYP3A4HTR3EHTR3BCYP1A2
SCHEMBL22926873 0.75 KDM4E (0.50) ALDH1A1CYP3A4SLC6A4HTR3ATTR
SCHEMBL26215055 0.74 RIPK1 (0.45) ALDH1A1MAPTRIPK1
SCHEMBL4538021 0.73 CHRNB2 (0.54) ALDH1A1CYP3A4HTR3EHTR3BCYP1A2

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
EP-4003976-B1 PICOLINAMIDE DERIVATIVES USEFUL AS AGRICULTURAL FUNGICIDES GLOBACHEM NV (BE) 2024-04-24 EP disclosed
US-20220256855-A1 PICOLINAMIDE DERIVATIVES USEFUL AS AGRICULTURAL FUNGICIDES GLOBACHEM NV (BE) 2022-08-18 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-20220256855-A1 PICOLINAMIDE DERIVATIVES USEFUL AS AGRICULTURAL FUNGICIDES FKBP2, FKBP14, FKBP1A ALDH1A1 2235/4885CYP3A4 209/4885HTR3E 3674/4885

“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.