SCHEMBL19742534

SCHEMBL19742534

C[S+]([O-])Cc1cc([N+](=O)[O-])ccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.49
ALDH1A1 P00352 8/20 0.43
LMNA P02545 6/20 0.43
GAA P10253 3/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
XDH P47989 1/20 0.37
RAD51 Q06609 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.36
BCL6 P41182 1/20 0.36
BCOR Q6W2J9 1/20 0.36

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
SCHEMBL1981640 0.83 VCAM1 (0.56) VCAM1ALDH1A1LMNAGAARECQL
SCHEMBL1231130 0.78 VCAM1 (0.54) VCAM1ALDH1A1LMNAGAARECQL
SCHEMBL4612729 0.78 VCAM1 (0.54) VCAM1ALDH1A1LMNAGAARECQL
SCHEMBL16953611 0.78 VCAM1 (0.58) VCAM1ALDH1A1LMNAGAARECQL
SCHEMBL6919288 0.78 VCAM1 (0.54) VCAM1ALDH1A1LMNAGAARECQL
SCHEMBL19753971 0.78 VCAM1 (0.50) VCAM1ALDH1A1LMNAGAARECQL
SCHEMBL19742529 0.77 ALDH1A1 (0.50) VCAM1ALDH1A1LMNAGAAMAPT
SCHEMBL19742430 0.77 GPR35 (0.50) ALDH1A1GAASMN1; SMN2TSHRMEN1
SCHEMBL19742751 0.77 HSD17B10 (0.53) VCAM1ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL19742415 0.77 TDP1 (0.42) ALDH1A1LMNAMAPTTSHRMEN1

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 9 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
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 VCAM1 3654/4885ALDH1A1 4009/4885LMNA 2774/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 VCAM1 3654/4885ALDH1A1 4009/4885LMNA 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.