Sugi Predict

Sugi Predict / Compounds / SCHEMBL19742444

SCHEMBL19742444

SCHEMBL19742444

N#CC1(c2ccc([N+](=O)[O-])cc2CBr)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 2/20 0.37
▸ LMNA P02545 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ EGFR P00533 1/20 0.36
▸ CYP3A4 P08684 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ TDP2 O95551 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPRT1 P00492 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ PNMT P11086 1/20 0.33
▸ GSK3B P49841 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
SCHEMBL30279948 1.00 VCAM1 (0.37) VCAM1LMNAALDH1A1EGFRCYP3A4
SCHEMBL30279902 0.83 ALDH1A1 (0.35) VCAM1LMNAALDH1A1EGFRTDP1
SCHEMBL19742431 0.83 ALDH1A1 (0.35) VCAM1LMNAALDH1A1EGFRTDP1
SCHEMBL30279955 0.82 VCAM1 (0.34) VCAM1LMNAALDH1A1EGFRCYP3A4
SCHEMBL19742713 0.82 VCAM1 (0.34) VCAM1LMNAALDH1A1EGFRCYP3A4
SCHEMBL30468432 0.81 VCAM1 (0.40) VCAM1LMNAALDH1A1EGFRCYP3A4
SCHEMBL6607725 0.81 VCAM1 (0.40) VCAM1LMNAALDH1A1EGFRCYP3A4
SCHEMBL31571876 0.80 ALDH1A1 (0.45) VCAM1LMNAALDH1A1EGFRCYP3A4
SCHEMBL1769332 0.80 ALDH1A1 (0.45) VCAM1LMNAALDH1A1EGFRCYP3A4
SCHEMBL6612111 0.78 ALDH1A1 (0.50) VCAM1LMNAALDH1A1EGFRCYP3A4

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 6 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
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 VCAM1 3654/4885LMNA 2774/4885ALDH1A1 4009/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 VCAM1 3654/4885LMNA 2774/4885ALDH1A1 4009/4885

“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.