SCHEMBL19742785

SCHEMBL19742785

COC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1CSC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
NLRP1 Q9C000 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 3/20 0.37
GLA P06280 1/20 0.37
RAB9A P51151 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
SCHEMBL29356476 1.00 SMN1; SMN2 (0.40) SMN1; SMN2KMT2ATDP1MAPTALDH1A1
SCHEMBL19754005 1.00 SMN1; SMN2 (0.40) SMN1; SMN2KMT2ATDP1MAPTALDH1A1
SCHEMBL30279892 1.00 SMN1; SMN2 (0.40) SMN1; SMN2KMT2ATDP1MAPTALDH1A1
SCHEMBL19742612 0.86 KMT2A (0.43) SMN1; SMN2KMT2ATDP1MAPTALDH1A1
SCHEMBL19742613 0.86 KMT2A (0.43) SMN1; SMN2KMT2ATDP1MAPTALDH1A1
SCHEMBL19742516 0.81 L3MBTL1 (0.47) SMN1; SMN2KMT2ATDP1MAPTALDH1A1
SCHEMBL30279891 0.81 L3MBTL1 (0.47) SMN1; SMN2KMT2ATDP1MAPTALDH1A1
SCHEMBL19742520 0.80 KMT2A (0.40) SMN1; SMN2KMT2ATDP1MAPTALDH1A1
SCHEMBL19742706 0.80 KMT2A (0.40) SMN1; SMN2KMT2ATDP1MAPTALDH1A1
SCHEMBL30279897 0.80 KMT2A (0.40) SMN1; SMN2KMT2ATDP1MAPTALDH1A1

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 SMN1; SMN2 3359/4885KMT2A 772/4885TDP1 3636/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 SMN1; SMN2 3359/4885KMT2A 772/4885TDP1 3636/4885

“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.