SCHEMBL19742524

SCHEMBL19742524

CSCc1cc([N+](=O)[O-])ccc1[C@@H](C)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
TDP1 Q9NUW8 3/20 0.39
HTT P42858 3/20 0.39
CYP3A4 P08684 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
LCK P06239 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL19742522 1.00 ALDH1A1 (0.41) ALDH1A1HPGDNPSR1MCOLN3TDP1
SCHEMBL19742523 1.00 ALDH1A1 (0.41) ALDH1A1HPGDNPSR1MCOLN3TDP1
SCHEMBL30279909 1.00 ALDH1A1 (0.41) ALDH1A1HPGDNPSR1MCOLN3TDP1
SCHEMBL19753995 0.84 POLB (0.51) ALDH1A1HPGDNPSR1MCOLN3TDP1
SCHEMBL11619189 0.80 ALDH1A1 (0.53) ALDH1A1HPGDTDP1HTTCYP3A4
SCHEMBL19742739 0.79 LMNA (0.39) ALDH1A1HPGDHTTPOLBTHRB
SCHEMBL19742735 0.79 LMNA (0.39) ALDH1A1HPGDHTTPOLBTHRB
Ammonia Solution, Strong SCHEMBL5929358 0.78 HTT (0.42) ALDH1A1HPGDNPSR1MCOLN3TDP1
SCHEMBL5222523 0.76 TSHR (0.59) ALDH1A1HPGDNPSR1MCOLN3TDP1
SCHEMBL19742564 0.75 HSD17B10 (0.55) ALDH1A1TDP1HTTTSHRKMT2A

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
EP-3474855-B1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS INC (US) 2022-01-26 EP disclosed
EP-3474855-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF Polaris Pharmaceuticals, Inc. (US) 2019-05-01 EP disclosed
US-10227344-B2 CK2 inhibitors, compositions and methods thereof POLARIS PHARMACEUTICALS, INC. (US) 2019-03-12 US disclosed
US-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS 2017-12-28 US disclosed
WO-2017223432-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS (US) 2017-12-28 WO 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 (2 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-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF CSNK1A1, CSNK2A1, CSNK2A3 ALDH1A1 4009/4885HPGD 4065/4885NPSR1 2192/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 ALDH1A1 4009/4885HPGD 4065/4885NPSR1 2192/4885

“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.