SCHEMBL19742712

SCHEMBL19742712

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
CYP19A1 P11511 3/20 0.36
MAOB P27338 2/20 0.36
HCAR3 P49019 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL19742681 0.86 ITGA4 (0.36) ALDH1A1TP53HTTCYP19A1MAOB
SCHEMBL19742726 0.77 ALDH1A1 (0.47) ALDH1A1TP53HTTHCAR3CYP1A2
SCHEMBL19753973 0.77 HCAR3 (0.48) ALDH1A1TP53HTTCYP19A1HCAR3
SCHEMBL19742710 0.75 ALDH1A1 (0.41) ALDH1A1TP53HTTHCAR3CYP1A2
SCHEMBL19742602 0.74 ALDH1A1 (0.39) ALDH1A1TP53HTTCYP19A1HCAR3
SCHEMBL30279941 0.74 ALDH1A1 (0.38) ALDH1A1TP53HTTCYP19A1
SCHEMBL19753989 0.71 ALDH1A1 (0.49) ALDH1A1TP53HTTCYP19A1
SCHEMBL19742532 0.70 CKS1B (0.41) ALDH1A1HTT
SCHEMBL19742680 0.70 ALOX5 (0.39) ALDH1A1CYP19A1KMT2ACRHBPCRHR2
SCHEMBL19742603 0.70 EPHX1 (0.40) ALDH1A1CYP19A1

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 4009/4885TP53 296/4885HTT 3799/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 ALDH1A1 4009/4885TP53 296/4885HTT 3799/4885

“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.