Sugi Predict

Sugi Predict / Compounds / SCHEMBL19742415

SCHEMBL19742415

SCHEMBL19742415

C[S+]([O-])Cc1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ TSHR P16473 4/20 0.41
▸ PTPRC P08575 2/20 0.40
▸ S100A4 P26447 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA5A P35218 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA7 P43166 1/20 0.37

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 0.81 POLB (0.53) TDP1ALDH1A1CYP3A4TSHRPTPRC
SCHEMBL29352684 0.81 ALDH1A1 (0.50) TDP1ALDH1A1CYP3A4TSHRPOLB
SCHEMBL19742529 0.81 ALDH1A1 (0.50) TDP1ALDH1A1CYP3A4TSHRPOLB
SCHEMBL19742751 0.81 HSD17B10 (0.53) TDP1ALDH1A1TSHRMEN1KMT2A
SCHEMBL19742430 0.81 GPR35 (0.50) TDP1ALDH1A1TSHRPOLBMEN1
SCHEMBL532452 0.78 PTPRC (0.46) TDP1ALDH1A1CYP3A4TSHRPTPRC
SCHEMBL30279963 0.78 PTPRC (0.46) TDP1ALDH1A1CYP3A4TSHRPTPRC
SCHEMBL19742534 0.77 VCAM1 (0.49) TDP1ALDH1A1CYP3A4TSHRPOLB
SCHEMBL24723083 0.77 ALDH1A1 (0.44) TDP1ALDH1A1CYP3A4TSHRPTPRC
SCHEMBL16744720 0.77 KDM4E (0.46) TDP1ALDH1A1CYP3A4TSHRPTPRC

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