SCHEMBL25637893

SCHEMBL25637893

COc1nc(NC(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.47
TXNRD1 Q16881 3/20 0.43
MERTK Q12866 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HCAR3 P49019 1/20 0.38
KCNH3 Q9ULD8 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL25289487 0.81 MERTK (0.44) TXNRD1MERTKMAPTALDH1A1HTT
SCHEMBL539558 0.80 BRD4 (0.50) BRD4TXNRD1SMN1; SMN2MEN1KMT2A
SCHEMBL7018840 0.78 MERTK (0.42) TXNRD1MERTKKMT2AMAPTALDH1A1
SCHEMBL9984233 0.76 BRD4 (0.62) BRD4SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5553628 0.75 SYK (0.43) TXNRD1MERTKLMNAKMT2AMAPT
SCHEMBL19172520 0.75 LMNA (0.51) MERTKLMNAMEN1KMT2AMAPT
SCHEMBL10740434 0.74 TXNRD1 (0.58) TXNRD1MAPTHTT
SCHEMBL15514986 0.74 MERTK (0.49) TXNRD1MERTKSMN1; SMN2MAPTCYP3A4
SCHEMBL29983153 0.74 MERTK (0.49) TXNRD1MERTKSMN1; SMN2MAPTCYP3A4
SCHEMBL25637888 0.74 SMN1; SMN2 (0.40) BRD4TXNRD1SMN1; SMN2LMNAMEN1

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 BRD4 934/4885TXNRD1 2453/4885MERTK 830/4885

“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.