SCHEMBL21797203

SCHEMBL21797203

O=[N+]([O-])c1c(-c2ccc(N(c3ccc(-c4ccc(C(=C(c5ccccc5)c5ccccc5)c5ccccc5)cc4)cc3)c3ccc(-c4ccc(C(=C(c5ccccc5)c5ccccc5)c5ccccc5)cc4)cc3)cc2)sc(-c2ccc(N(c3ccc(-c4ccc(C(=C(c5ccccc5)c5ccccc5)c5ccccc5)cc4)cc3)c3ccc(-c4ccc(C(=C(c5ccccc5)c5ccccc5)c5ccccc5)cc4)cc3)cc2)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 5/20 0.43
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
ATM Q13315 1/20 0.43
TLR9 Q9NR96 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 2/20 0.39
POLB P06746 2/20 0.39
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HPRT1 P00492 1/20 0.34
MAPT P10636 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 2/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 2/20 0.33
PSMD14 O00487 1/20 0.33

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
SCHEMBL14066318 0.87 ALDH1A1 (0.56) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL21797207 0.80 MAPT (0.50) MEN1KMT2AALDH1A1ATML3MBTL1
SCHEMBL20287958 0.79 MAPT (0.39) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL13808676 0.77 MAPT (0.43) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL21797206 0.77 MEN1 (0.39) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL13515151 0.75 MAPT (0.46) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL21998530 0.75 MAPT (0.46) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL14132570 0.75 MAPT (0.46) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL13515173 0.75 MAPT (0.46) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL21998536 0.75 MAPT (0.46) MEN1KMT2AALDH1A1CRHBPCRHR2

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-20200079787-A1 LUMINOGENS FOR BIOLOGICAL APPLICATIONS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-03-12 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-20200079787-A1 LUMINOGENS FOR BIOLOGICAL APPLICATIONS BTD, LTA, TPD52L2 MEN1 4563/4885KMT2A 3990/4885ALDH1A1 2344/4885

“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.