SCHEMBL21148459

SCHEMBL21148459

O=[N+]([O-])c1ccccc1-n1c2ccccc2c2cccc(Br)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 6/20 0.42
CTSB P07858 1/20 0.40
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
BLM P54132 1/20 0.38
GAA P10253 3/20 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
SCHEMBL869478 0.85 TDP1 (0.50) TDP1ALDH1A1CTSBKMT2AHTT
SCHEMBL29442065 0.85 TDP1 (0.50) TDP1ALDH1A1CTSBKMT2AHTT
SCHEMBL2226477 0.83 TDP1 (0.43) TDP1ALDH1A1KMT2AHTTCYP1A2
SCHEMBL25277587 0.80 KDM4E (0.42) ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL15434758 0.80 TDP1 (0.40) TDP1ALDH1A1CTSBKMT2ACYP1A2
SCHEMBL18534086 0.79 LMNA (0.46) TDP1ALDH1A1CTSBKMT2AHTT
SCHEMBL22833914 0.78 ALDH1A1 (0.41) ALDH1A1CTSBKMT2AHTTCYP3A4
Bicarbonate SCHEMBL29442057 0.78 ALDH1A1 (0.49) TDP1ALDH1A1CTSBKMT2AHTT
SCHEMBL29470129 0.78 ALDH1A1 (0.41) ALDH1A1CTSBKMT2AHTTCYP3A4
SCHEMBL18645526 0.76 ALDH1A1 (0.40) TDP1ALDH1A1CTSBKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11329237-B2 Boron and nitrogen containing heterocyclic compounds Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-05-10 US disclosed
US-11239430-B2 Boron and nitrogen containing heterocyclic compounds Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-02-01 US disclosed
US-20190211038-A1 BORON AND NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS Beijing Summer Sprout Technology Co., Ltd. (CN) 2019-07-11 US disclosed
US-20190214564-A1 BORON AND NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS Beijing Summer Sprout Technology Co., Ltd. (CN) 2019-07-11 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-11329237-B2 Boron and nitrogen containing heterocyclic compounds SLC43A1, SLC7A5, SLC1A5 TDP1 3481/4885ALDH1A1 3130/4885CTSB 775/4885
US-11239430-B2 Boron and nitrogen containing heterocyclic compounds SLC43A1, SLC7A5, SLC1A5 TDP1 3481/4885ALDH1A1 3130/4885CTSB 775/4885
US-20190214564-A1 BORON AND NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS SLC43A1, SLC7A5, SLC1A5 TDP1 3481/4885ALDH1A1 3130/4885CTSB 775/4885
US-20190211038-A1 BORON AND NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS SLC43A1, SLC7A5, SLC1A5 TDP1 3481/4885ALDH1A1 3130/4885CTSB 775/4885

“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.