SCHEMBL19742751

SCHEMBL19742751

C[S+]([O-])Cc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 1/20 0.47
VCAM1 P19320 2/20 0.45
TDP1 Q9NUW8 2/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
RORC P51449 1/20 0.41
TSHR P16473 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
SCHEMBL19742430 0.84 GPR35 (0.50) SMN1; SMN2ALDH1A1KDM4ETDP1KMT2A
SCHEMBL13241715 0.81 HSD17B10 (0.62) HSD17B10SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL19742415 0.81 TDP1 (0.42) HSD17B10LMNAALDH1A1KDM4ETDP1
SCHEMBL29352684 0.81 ALDH1A1 (0.50) HSD17B10LMNAALDH1A1VCAM1TDP1
SCHEMBL19742529 0.81 ALDH1A1 (0.50) HSD17B10LMNAALDH1A1VCAM1TDP1
SCHEMBL27599828 0.78 HSD17B10 (0.58) HSD17B10SMN1; SMN2LMNAALDH1A1VCAM1
SCHEMBL863249 0.78 HSD17B10 (0.62) HSD17B10SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL19742534 0.77 VCAM1 (0.49) SMN1; SMN2LMNAALDH1A1VCAM1TDP1
SCHEMBL4513265 0.77 HSD17B10 (0.56) HSD17B10SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL2182437 0.76 HSD17B10 (0.60) HSD17B10SMN1; SMN2LMNAALDH1A1KDM4E

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 8 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
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 HSD17B10 3525/4885SMN1; SMN2 3359/4885LMNA 2774/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 HSD17B10 3525/4885SMN1; SMN2 3359/4885LMNA 2774/4885

“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.