SCHEMBL19742613

SCHEMBL19742613

CSCc1cc([N+](=O)[O-])ccc1/C(C)=C/C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 6/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALOX15 P16050 1/20 0.40
CYP1A2 P05177 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 4/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CES2 O00748 1/20 0.36

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
SCHEMBL19742612 1.00 KMT2A (0.43) KMT2AMEN1L3MBTL1ALDH1A1CYP3A4
SCHEMBL19754005 0.86 SMN1; SMN2 (0.40) KMT2AMEN1L3MBTL1ALDH1A1TDP1
SCHEMBL30279892 0.86 SMN1; SMN2 (0.40) KMT2AMEN1L3MBTL1ALDH1A1TDP1
SCHEMBL29356476 0.86 SMN1; SMN2 (0.40) KMT2AMEN1L3MBTL1ALDH1A1TDP1
SCHEMBL19742785 0.86 SMN1; SMN2 (0.40) KMT2AMEN1L3MBTL1ALDH1A1TDP1
SCHEMBL30279891 0.84 L3MBTL1 (0.47) KMT2AMEN1L3MBTL1ALDH1A1CYP3A4
SCHEMBL19742516 0.84 L3MBTL1 (0.47) KMT2AMEN1L3MBTL1ALDH1A1CYP3A4
SCHEMBL19742520 0.83 KMT2A (0.40) KMT2AMEN1L3MBTL1ALDH1A1CYP3A4
SCHEMBL19742706 0.83 KMT2A (0.40) KMT2AMEN1L3MBTL1ALDH1A1CYP3A4
SCHEMBL30279954 0.83 KMT2A (0.40) KMT2AMEN1L3MBTL1ALDH1A1CYP3A4

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 KMT2A 772/4885MEN1 2862/4885L3MBTL1 3627/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 KMT2A 772/4885MEN1 2862/4885L3MBTL1 3627/4885

“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.