SCHEMBL29629509

SCHEMBL29629509

N#Cc1ccc(-n2cc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
MAPT P10636 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSP90AA1 P07900 1/20 0.43
ALDH1A1 P00352 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
VCAM1 P19320 2/20 0.42
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
NOTUM Q6P988 1/20 0.39
CYP19A1 P11511 2/20 0.39
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL15412508 0.80 MGAM (0.53) MGAMGAASIMGAM2MAPT
SCHEMBL22518629 0.80 MGAM (0.53) MGAMGAASIMGAM2MAPT
SCHEMBL15007112 0.80 MAPT (0.54) MGAMGAASIMGAM2MAPT
SCHEMBL224389 0.79 HSP90AA1 (0.62) MGAMGAASIMGAM2MAPT
SCHEMBL25209653 0.78 MGAM (0.51) MGAMGAASIMGAM2MAPT
SCHEMBL12819078 0.77 MGAM (0.51) MGAMGAASIMGAM2MAPT
SCHEMBL28138593 0.75 MEN1 (0.55) MAPTMEN1KMT2AALDH1A1KCNJ1
SCHEMBL26114330 0.74 F2 (0.43) MGAMGAASIMGAM2MAPT
SCHEMBL11900219 0.73 KIF11 (0.49) NOTUMCYP19A1
SCHEMBL18604453 0.73 MAPT (0.50) MGAMGAASIMGAM2MAPT

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-20220169645-A1 COMPOUNDS AS BRUTON TYROSINE KINASE INHIBITORS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF Eternity Bioscience Inc. 2022-06-02 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-20220169645-A1 COMPOUNDS AS BRUTON TYROSINE KINASE INHIBITORS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF BTK, LYN, LCK MGAM 2004/4885GAA 1082/4885SI 2853/4885

“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.