SCHEMBL19742423

SCHEMBL19742423

CN(CCNC(=O)O)c1ccc([N+](=O)[O-])cc1CS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP19A1 P11511 8/20 0.39
HCAR3 P49019 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL19742780 0.85 ALOX5 (0.42) ALDH1A1HTTPOLBCYP19A1
SCHEMBL29357394 0.85 ALOX5 (0.42) ALDH1A1HTTPOLBCYP19A1
SCHEMBL19742636 0.83 CYP19A1 (0.34) ALDH1A1HTTCYP19A1L3MBTL1
SCHEMBL19742726 0.83 ALDH1A1 (0.47) ALDH1A1HTTPOLBTP53TMEM97
SCHEMBL19742674 0.78 ALDH1A1 (0.40) ALDH1A1HTTTP53CYP19A1L3MBTL1
SCHEMBL6978105 0.73 ALDH1A1 (0.57) ALDH1A1HTTTP53HCAR3L3MBTL1
SCHEMBL14185992 0.71 KMT2A (0.47) ALDH1A1HTTPOLBTMEM97SIGMAR1
SCHEMBL19742587 0.70 ALOX5 (0.40) ALDH1A1CYP19A1
SCHEMBL24225928 0.70 ALDH1A1 (0.41) ALDH1A1HTTPOLBL3MBTL1
SCHEMBL19742532 0.70 CKS1B (0.41) ALDH1A1HTTPOLB

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
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

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 4009/4885HTT 3799/4885POLB 1506/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 ALDH1A1 4009/4885HTT 3799/4885POLB 1506/4885

“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.