Sugi Predict

Sugi Predict / Compounds / SCHEMBL19742727

SCHEMBL19742727

SCHEMBL19742727

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ GPR3 P46089 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ PNMT P11086 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL30279937 1.00 TDP1 (0.36) TDP1CYP3A4ALDH1A1HTTPOLB
SCHEMBL29352631 0.82 KMT2A (0.35) TDP1CYP3A4ALDH1A1HTTPOLB
SCHEMBL19742509 0.82 KMT2A (0.35) TDP1CYP3A4ALDH1A1HTTPOLB
SCHEMBL30279968 0.82 KMT2A (0.35) TDP1CYP3A4ALDH1A1HTTPOLB
SCHEMBL30279955 0.81 VCAM1 (0.34) TDP1CYP3A4ALDH1A1HTTPOLB
SCHEMBL19742713 0.81 VCAM1 (0.34) TDP1CYP3A4ALDH1A1HTTPOLB
SCHEMBL19742697 0.78 CYP1A2 (0.36) TDP1CYP3A4ALDH1A1HTTPOLB
SCHEMBL19742659 0.76 AKR1B1 (0.39) TDP1ALDH1A1HTTMEN1MAPT
SCHEMBL19742430 0.74 GPR35 (0.50) TDP1ALDH1A1POLBTSHRMEN1
SCHEMBL19742751 0.74 HSD17B10 (0.53) TDP1ALDH1A1TSHRMEN1KMT2A

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 TDP1 3636/4885CYP3A4 3183/4885ALDH1A1 4009/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 TDP1 3636/4885CYP3A4 3183/4885ALDH1A1 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.