SCHEMBL19742516

SCHEMBL19742516

CSCc1cc([N+](=O)[O-])ccc1C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 5/20 0.43
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 2/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL30279891 1.00 L3MBTL1 (0.47) L3MBTL1MAPK1CA12CA9ALDH1A1
SCHEMBL19754000 0.84 MAPK1 (0.50) L3MBTL1MAPK1CA12CA9ALDH1A1
SCHEMBL19742613 0.84 KMT2A (0.43) L3MBTL1ALDH1A1MAPTKMT2ACYP3A4
SCHEMBL19742612 0.84 KMT2A (0.43) L3MBTL1ALDH1A1MAPTKMT2ACYP3A4
SCHEMBL19742706 0.82 KMT2A (0.40) L3MBTL1MAPK1ALDH1A1MAPTKMT2A
SCHEMBL19742520 0.82 KMT2A (0.40) L3MBTL1MAPK1ALDH1A1MAPTKMT2A
SCHEMBL30279954 0.82 KMT2A (0.40) L3MBTL1MAPK1ALDH1A1MAPTKMT2A
SCHEMBL30279897 0.82 KMT2A (0.40) L3MBTL1MAPK1ALDH1A1MAPTKMT2A
SCHEMBL17059408 0.81 ALDH1A1 (0.49) L3MBTL1MAPK1CA12CA9ALDH1A1
SCHEMBL19754005 0.81 SMN1; SMN2 (0.40) L3MBTL1MAPK1ALDH1A1MAPTKMT2A

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 6 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
WO-2017223432-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS (US) 2017-12-28 WO disclosed
US-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS 2017-12-28 US disclosed
US-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS 2017-12-28 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 (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 L3MBTL1 3627/4885MAPK1 365/4885CA12 678/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 L3MBTL1 3627/4885MAPK1 365/4885CA12 678/4885

“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.