Sugi Predict

Sugi Predict / Compounds / SCHEMBL19742474

SCHEMBL19742474

SCHEMBL19742474

CSCc1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ TSHR P16473 3/20 0.42
▸ PTPRC P08575 1/20 0.41
▸ S100A4 P26447 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PDE7A Q13946 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ TXNRD1 Q16881 1/20 0.39
▸ TXNRD3 Q86VQ6 1/20 0.39
▸ TXNRD2 Q9NNW7 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL13043154 0.82 POLB (0.53) ALDH1A1TDP1CYP3A4TSHRPTPRC
SCHEMBL11619189 0.81 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL30279946 0.80 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL19742564 0.80 HSD17B10 (0.55) ALDH1A1TDP1TSHRHTTPDE7A
SCHEMBL9445064 0.80 GAA (0.54) ALDH1A1TDP1TSHRPOLBL3MBTL1
SCHEMBL13722494 0.80 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL30279963 0.79 PTPRC (0.46) ALDH1A1TDP1CYP3A4TSHRPTPRC
SCHEMBL532452 0.79 PTPRC (0.46) ALDH1A1TDP1CYP3A4TSHRPTPRC
SCHEMBL24723083 0.78 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4TSHRPTPRC
SCHEMBL16744720 0.78 KDM4E (0.46) ALDH1A1TDP1CYP3A4TSHRPTPRC

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109562111-B CK2 inhibitors, compositions and methods thereof 北极星药业股份有限公司 2023-04-04 — — CN 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
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 4009/4885TDP1 3636/4885CYP3A4 3183/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 ALDH1A1 4009/4885TDP1 3636/4885CYP3A4 3183/4885

“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.