SCHEMBL19742430

SCHEMBL19742430

C[S+]([O-])Cc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CTSB P07858 1/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
ERN1 O75460 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NOX4 Q9NPH5 1/20 0.45
APP P05067 1/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL10081187 0.89 GPR35 (0.51) GPR35ALDH1A1TSHRTP53HPGD
Bromide SCHEMBL5275687 0.87 GPR35 (0.50) GPR35ALDH1A1TSHRTP53HPGD
Bromide SCHEMBL30656469 0.87 GPR35 (0.50) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL19742751 0.84 HSD17B10 (0.53) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL4231830 0.81 ALDH1A1 (0.58) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL19742529 0.81 ALDH1A1 (0.50) ALDH1A1TSHRGAATHRBL3MBTL1
SCHEMBL29352684 0.81 ALDH1A1 (0.50) ALDH1A1TSHRGAATHRBL3MBTL1
SCHEMBL19742415 0.81 TDP1 (0.42) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL51277 0.79 GPR35 (0.60) GPR35ALDH1A1TSHRTP53HPGD
SCHEMBL216753 0.78 GPR35 (0.58) GPR35ALDH1A1TSHRTP53HPGD

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 10 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-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
CN-109562111-A CK2 inhibitor, its composition and method 北极星药业股份有限公司 2019-04-02 CN disclosed
US-10227344-B2 CK2 inhibitors, compositions and methods thereof POLARIS PHARMACEUTICALS, INC. (US) 2019-03-12 US 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 GPR35 1967/4885ALDH1A1 4009/4885TSHR 2394/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 GPR35 1967/4885ALDH1A1 4009/4885TSHR 2394/4885

“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.