SCHEMBL21797206

SCHEMBL21797206

O=[N+]([O-])c1c(-c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)sc(-c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 2/20 0.39
CRHBP P24387 1/20 0.39
ATM Q13315 1/20 0.39
CRHR2 Q13324 1/20 0.39
TLR9 Q9NR96 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
XDH P47989 1/20 0.38
MAPT P10636 6/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
MAPK1 P28482 2/20 0.35
PTGS2 P35354 2/20 0.34
POLB P06746 4/20 0.33
LMNA P02545 1/20 0.33
CYP19A1 P11511 1/20 0.33
APP P05067 1/20 0.33
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32

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 0.85 ALDH1A1 (0.56) MEN1KMT2AALDH1A1CRHBPATM
SCHEMBL21797203 0.77 MEN1 (0.43) MEN1KMT2AALDH1A1CRHBPATM
SCHEMBL12809276 0.77 TSHR (0.41) MEN1KMT2AALDH1A1CRHBPATM
SCHEMBL31194310 0.73 ALDH1A1 (0.68) MEN1KMT2AALDH1A1CRHBPATM
SCHEMBL29524560 0.73 ALDH1A1 (0.68) MEN1KMT2AALDH1A1CRHBPATM
SCHEMBL28260782 0.72 CHRM2 (0.38) MEN1KMT2AALDH1A1CRHBPATM
SCHEMBL12809272 0.72 NPC1 (0.35) MEN1KMT2AALDH1A1CRHBPATM
SCHEMBL12781545 0.70 ALDH1A1 (0.52) MEN1KMT2AALDH1A1ATML3MBTL1
SCHEMBL3794654 0.70 ALDH1A1 (0.52) MEN1KMT2AALDH1A1ATML3MBTL1
SCHEMBL23714869 0.67 CYP2A6 (0.57) MEN1KMT2AALDH1A1TLR9L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162889-B2 Luminogens for biological applications THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2024-12-10 US disclosed
CN-110312708-B Luminescent materials for biological applications 香港科技大学 2023-07-18 CN disclosed
US-20220048923-A1 LUMINOGENS FOR BIOLOGICAL APPLICATIONS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-02-17 US disclosed
US-11186586-B2 Luminogens for biological applications THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-11-30 US disclosed
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 (4 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-12162889-B2 Luminogens for biological applications BTD, TPD52L2, TTPA MEN1 4585/4885KMT2A 4050/4885ALDH1A1 1770/4885
US-20200079787-A1 LUMINOGENS FOR BIOLOGICAL APPLICATIONS BTD, LTA, TPD52L2 MEN1 4563/4885KMT2A 3990/4885ALDH1A1 2344/4885
US-20220048923-A1 LUMINOGENS FOR BIOLOGICAL APPLICATIONS BTD, TPD52L2, TTPA MEN1 4585/4885KMT2A 4050/4885ALDH1A1 1770/4885
US-11186586-B2 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.