SCHEMBL19742431

SCHEMBL19742431

CSCc1cc([N+](=O)[O-])ccc1C1(C#N)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
VCAM1 P19320 1/20 0.35
TDP2 O95551 1/20 0.35
LMNA P02545 4/20 0.34
GAA P10253 3/20 0.34
EGFR P00533 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
APOBEC3A P31941 1/20 0.33
HTT P42858 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ADRA2A P08913 1/20 0.33
PNMT P11086 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
SCHEMBL30279902 1.00 ALDH1A1 (0.35) ALDH1A1HPGDSMN1; SMN2VCAM1TDP2
SCHEMBL19742444 0.83 VCAM1 (0.37) ALDH1A1SMN1; SMN2VCAM1TDP2LMNA
SCHEMBL30279948 0.83 VCAM1 (0.37) ALDH1A1SMN1; SMN2VCAM1TDP2LMNA
SCHEMBL19742713 0.81 VCAM1 (0.34) ALDH1A1SMN1; SMN2VCAM1TDP2LMNA
SCHEMBL30279955 0.81 VCAM1 (0.34) ALDH1A1SMN1; SMN2VCAM1TDP2LMNA
SCHEMBL6612111 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2VCAM1TDP2LMNA
SCHEMBL31571876 0.76 ALDH1A1 (0.45) ALDH1A1VCAM1TDP2LMNAEGFR
SCHEMBL1769332 0.76 ALDH1A1 (0.45) ALDH1A1VCAM1TDP2LMNAEGFR
SCHEMBL6607725 0.75 VCAM1 (0.40) ALDH1A1VCAM1TDP2LMNAGAA
SCHEMBL30468432 0.75 VCAM1 (0.40) ALDH1A1VCAM1TDP2LMNAGAA

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 8 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-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-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
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 4009/4885HPGD 4065/4885SMN1; SMN2 3359/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 ALDH1A1 4009/4885HPGD 4065/4885SMN1; SMN2 3359/4885

“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.