SCHEMBL19742659

SCHEMBL19742659

C[S+]([O-])Cc1cc([N+](=O)[O-])ccc1C1(CNC(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.39
HTT P42858 2/20 0.37
LMNA P02545 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 2/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
THRB P10828 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSPA9 P38646 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TBXA2R P21731 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
RAB9A P51151 1/20 0.32

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
SCHEMBL19753991 0.86 ALOX5 (0.39) HTTLMNATDP1MAPTMEN1
SCHEMBL19742559 0.83 AKR1B1 (0.39) AKR1B1HTTLMNATDP1CYP1A2
SCHEMBL19742697 0.82 CYP1A2 (0.36) AKR1B1HTTLMNATDP1CYP1A2
SCHEMBL30279968 0.77 KMT2A (0.35) AKR1B1HTTTDP1CYP1A2KMT2A
SCHEMBL19742509 0.77 KMT2A (0.35) AKR1B1HTTTDP1CYP1A2KMT2A
SCHEMBL29352631 0.77 KMT2A (0.35) AKR1B1HTTTDP1CYP1A2KMT2A
SCHEMBL19742727 0.76 TDP1 (0.36) HTTLMNATDP1CYP1A2MAPT
SCHEMBL30279937 0.76 TDP1 (0.36) HTTLMNATDP1CYP1A2MAPT
SCHEMBL19742720 0.75 NQO2 (0.47) LMNACYP1A2MAPTMEN1KMT2A
SCHEMBL19742713 0.73 VCAM1 (0.34) HTTLMNATDP1CYP1A2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 AKR1B1 918/4885HTT 3799/4885LMNA 2774/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 AKR1B1 918/4885HTT 3799/4885LMNA 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.