SCHEMBL19742559

SCHEMBL19742559

CSCc1cc([N+](=O)[O-])ccc1C1(CNC(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.39
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 4/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
THRB P10828 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
HSPA9 P38646 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL29355639 0.85 ALOX5 (0.40) AKR1B1HTTLMNATDP1MAPT
SCHEMBL19753990 0.85 ALOX5 (0.40) AKR1B1HTTLMNATDP1MAPT
SCHEMBL19742659 0.83 AKR1B1 (0.39) AKR1B1HTTLMNACYP1A2TDP1
SCHEMBL19742747 0.75 NQO2 (0.48) LMNACYP1A2TDP1MAPTALDH1A1
SCHEMBL19742431 0.72 ALDH1A1 (0.35) HTTLMNATDP1MAPTALDH1A1
SCHEMBL30279902 0.72 ALDH1A1 (0.35) HTTLMNATDP1MAPTALDH1A1
SCHEMBL19753991 0.70 ALOX5 (0.39) HTTLMNATDP1MAPTALDH1A1
SCHEMBL19742739 0.69 LMNA (0.39) HTTLMNACYP1A2MAPTALDH1A1
SCHEMBL19742735 0.69 LMNA (0.39) HTTLMNACYP1A2MAPTALDH1A1
SCHEMBL9445064 0.69 GAA (0.54) TDP1ALDH1A1L3MBTL1MEN1KMT2A

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
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 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.