SCHEMBL27200602

SCHEMBL27200602

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.43
ALDH1A1 P00352 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
TTR P02766 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNJ1 P48048 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 0.86 TTR (0.47) RIPK1ALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL27200596 0.84 ALDH1A1 (0.43) RIPK1ALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL27200595 0.81 ALDH1A1 (0.45) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL27200610 0.80 RIPK1 (0.43) RIPK1ALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL27200611 0.78 CYP19A1 (0.48) RIPK1ALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL14923456 0.78 MAPT (0.44) RIPK1ALDH1A1CYP2C19MAPTHTT
SCHEMBL27200606 0.78 TLR8 (0.43) RIPK1ALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL26215055 0.77 RIPK1 (0.45) RIPK1ALDH1A1KDM4ECCNT1CDK9
SCHEMBL22926836 0.76 KDM4E (0.47) ALDH1A1SLC6A4HTR3ATTRKDM4E
SCHEMBL2952239 0.74 TTR (0.46) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4

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 RIPK1 3100/4885ALDH1A1 2235/4885HTR3E 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.