SCHEMBL14754487

SCHEMBL14754487

Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc3ncccc23)n(C)c1=O

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.68
▸ RXFP1 Q9HBX9 5/20 0.67
▸ TP53 P04637 3/20 0.67
▸ ALOX15 P16050 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ TSHR P16473 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ MEN1 O00255 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.58
▸ MAPK1 P28482 1/20 0.57
▸ TRPA1 O75762 1/20 0.57
▸ 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
SCHEMBL10113952 0.87 CYP1A2 (0.75) CYP1A2RXFP1TP53ALOX15ALDH1A1
SCHEMBL15384325 0.84 CYP1A2 (0.50) CYP1A2RXFP1TP53ALOX15ALDH1A1
SCHEMBL15075832 0.84 LMNA (0.51) CYP1A2RXFP1TP53ALOX15ALDH1A1
SCHEMBL14754389 0.83 CYP1A2 (0.70) CYP1A2RXFP1TP53ALOX15ALDH1A1
SCHEMBL19036514 0.83 CYP1A2 (0.67) CYP1A2RXFP1TP53ALOX15ALDH1A1
SCHEMBL19036714 0.82 RXFP1 (0.73) CYP1A2RXFP1TP53ALOX15ALDH1A1
SCHEMBL19036489 0.82 KMT2A (0.74) CYP1A2RXFP1TP53ALOX15ALDH1A1
SCHEMBL15075757 0.81 CYP1A2 (0.77) CYP1A2RXFP1TP53ALOX15ALDH1A1
SCHEMBL15075669 0.81 CYP1A2 (0.67) CYP1A2RXFP1TP53ALOX15ALDH1A1
SCHEMBL20079646 0.81 RXFP1 (0.69) CYP1A2RXFP1TP53ALOX15ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 — — 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-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 CYP1A2 1369/4885RXFP1 1374/4885TP53 4574/4885

“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.

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