Sugi Predict

Sugi Predict / Compounds / SCHEMBL19742713

SCHEMBL19742713

SCHEMBL19742713

C[S+]([O-])Cc1cc([N+](=O)[O-])ccc1C1(C#N)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ LMNA P02545 4/20 0.33
▸ GAA P10253 2/20 0.33
▸ EGFR P00533 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ PNMT P11086 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ NR3C1 P04150 1/20 0.32

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
SCHEMBL30279955 1.00 VCAM1 (0.34) VCAM1ALDH1A1LMNAGAAEGFR
SCHEMBL19742444 0.82 VCAM1 (0.37) VCAM1ALDH1A1LMNAGAAEGFR
SCHEMBL30279948 0.82 VCAM1 (0.37) VCAM1ALDH1A1LMNAGAAEGFR
SCHEMBL30279902 0.81 ALDH1A1 (0.35) VCAM1ALDH1A1LMNAGAAEGFR
SCHEMBL19742431 0.81 ALDH1A1 (0.35) VCAM1ALDH1A1LMNAGAAEGFR
SCHEMBL30279937 0.81 TDP1 (0.36) ALDH1A1LMNATDP1TSHRSMN1; SMN2
SCHEMBL19742727 0.81 TDP1 (0.36) ALDH1A1LMNATDP1TSHRSMN1; SMN2
SCHEMBL6612111 0.77 ALDH1A1 (0.50) VCAM1ALDH1A1LMNAGAAEGFR
SCHEMBL19742509 0.77 KMT2A (0.35) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL29352631 0.77 KMT2A (0.35) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4

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

“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.