SCHEMBL25637795

SCHEMBL25637795

COc1nc(N)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 2/20 0.42
RECQL P46063 1/20 0.42
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
CYP1A2 P05177 1/20 0.39
HTT P42858 2/20 0.38
TXNRD1 Q16881 2/20 0.37
ERN1 O75460 1/20 0.37
MERTK Q12866 1/20 0.36

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
SCHEMBL2983072 0.87 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4RECQLGAA
SCHEMBL9794409 0.86 MAPT (0.41) ALDH1A1TSHRCYP3A4RECQLGAA
SCHEMBL215155 0.83 CYP1A2 (0.41) ALDH1A1TSHRCYP3A4RECQLGAA
SCHEMBL25637794 0.82 KDM4E (0.42) ALDH1A1TSHRCYP3A4KDM4EMEN1
SCHEMBL19171917 0.80 MERTK (0.42) ALDH1A1TSHRCYP3A4KDM4EMAPT
SCHEMBL10781069 0.80 ALDH1A1 (0.45) ALDH1A1CYP3A4KDM4EMEN1MAPT
SCHEMBL25337052 0.79 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4RECQLGAA
SCHEMBL31597058 0.79 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4RECQLGAA
SCHEMBL15514790 0.78 POLB (0.43) ALDH1A1CYP3A4GAAKDM4EMAPT
SCHEMBL12354210 0.78 CYP1A2 (0.40) ALDH1A1TSHRCYP3A4GAAKDM4E

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-20230192734-A1 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS QILU PHARMACEUTICAL CO LTD (CN) 2023-06-22 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-20230192734-A1 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 ALDH1A1 3656/4885TSHR 1375/4885CYP3A4 3056/4885

“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.