SCHEMBL19742529

SCHEMBL19742529

C[S+]([O-])Cc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
HIF1A Q16665 1/20 0.50
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 4/20 0.39
CYP3A4 P08684 2/20 0.39
POLB P06746 2/20 0.39
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
VCAM1 P19320 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
SCHEMBL29352684 1.00 ALDH1A1 (0.50) ALDH1A1HIF1AGAAHTTTHRB
SCHEMBL12955135 0.81 ALDH1A1 (0.58) ALDH1A1HIF1AGAAHTTTHRB
SCHEMBL19742751 0.81 HSD17B10 (0.53) ALDH1A1TDP1TSHRLMNAHSD17B10
SCHEMBL19742415 0.81 TDP1 (0.42) ALDH1A1HTTTDP1TSHRLMNA
SCHEMBL19742430 0.81 GPR35 (0.50) ALDH1A1GAATHRBL3MBTL1TDP1
SCHEMBL15076454 0.78 ALDH1A1 (0.58) ALDH1A1HIF1AGAAHTTTHRB
SCHEMBL29223565 0.77 ALDH1A1 (0.52) ALDH1A1GAAHTTL3MBTL1TDP1
SCHEMBL19742534 0.77 VCAM1 (0.49) ALDH1A1GAAHTTTDP1TSHR
SCHEMBL4532764 0.77 ALDH1A1 (0.53) ALDH1A1HIF1AGAAHTTTHRB
SCHEMBL19363639 0.77 ALDH1A1 (0.53) ALDH1A1HIF1AGAAHTTTHRB

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
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 ALDH1A1 4009/4885HIF1A 1355/4885GAA 3147/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 ALDH1A1 4009/4885HIF1A 1355/4885GAA 3147/4885

“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.