SCHEMBL19742726

SCHEMBL19742726

CN(CCNC(=O)O)c1ccc([N+](=O)[O-])cc1C[S+](C)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
HCAR3 P49019 2/20 0.40
TP53 P04637 1/20 0.39
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.34
NQO2 P16083 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE2A O00408 1/20 0.34
PDE5A O76074 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL19742532 0.86 CKS1B (0.41) ALDH1A1HTTPOLBSMN1; SMN2NQO2
SCHEMBL19742423 0.83 ALDH1A1 (0.48) ALDH1A1HTTPOLBHCAR3TP53
SCHEMBL19742573 0.83 LMNA (0.33) ALDH1A1HCAR3BLMPMP22
SCHEMBL19753973 0.82 HCAR3 (0.48) ALDH1A1HTTPOLBHCAR3TP53
SCHEMBL19742710 0.81 ALDH1A1 (0.41) ALDH1A1HTTPOLBHCAR3TP53
SCHEMBL19742720 0.80 NQO2 (0.47) ALDH1A1SMN1; SMN2CYP1A2NQO2MAPT
SCHEMBL19742602 0.79 ALDH1A1 (0.39) ALDH1A1HTTPOLBHCAR3TP53
SCHEMBL19742712 0.77 ALDH1A1 (0.41) ALDH1A1HTTHCAR3TP53CYP1A2
SCHEMBL19742711 0.76 RAB9A (0.50) ALDH1A1HTTPOLBKDM4ECYP1A2
SCHEMBL19742603 0.75 EPHX1 (0.40) ALDH1A1MAPTL3MBTL1

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 4009/4885HTT 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.