SCHEMBL19036645

SCHEMBL19036645

COc1ccccc1CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.73
LMNA P02545 2/20 0.68
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 1/20 0.64
TP53 P04637 4/20 0.63
RXFP1 Q9HBX9 6/20 0.62
GAA P10253 2/20 0.62
ALDH1A1 P00352 1/20 0.62
KDM4E B2RXH2 1/20 0.62
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
MAPK1 P28482 2/20 0.58
USP2 O75604 1/20 0.57

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
SCHEMBL1064143 0.90 CYP1A2 (0.72) ALOX15LMNACYP1A2CYP3A4TP53
SCHEMBL10114261 0.87 CYP1A2 (0.72) ALOX15LMNACYP1A2TP53RXFP1
SCHEMBL18166670 0.86 CYP1A2 (0.69) ALOX15LMNACYP1A2CYP3A4TP53
SCHEMBL10113968 0.86 TP53 (0.67) ALOX15LMNACYP1A2TP53RXFP1
SCHEMBL10114488 0.85 ALOX15 (1.00) ALOX15LMNACYP1A2TP53RXFP1
SCHEMBL15384403 0.84 LMNA (0.65) ALOX15LMNACYP1A2TP53RXFP1
SCHEMBL10114298 0.83 CYP1A2 (0.82) ALOX15LMNACYP1A2CYP3A4TP53
SCHEMBL10114496 0.82 MAPT (0.71) ALOX15LMNACYP1A2CYP3A4TP53
SCHEMBL10113993 0.81 LMNA (0.68) ALOX15LMNACYP1A2TP53RXFP1
SCHEMBL18166606 0.80 CYP1A2 (0.74) ALOX15LMNACYP1A2CYP3A4TP53

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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 EP 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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 ALOX15 148/4885LMNA 819/4885CYP1A2 1369/4885

“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.