SCHEMBL19742500

SCHEMBL19742500

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
MAPT P10636 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MMP1 P03956 3/20 0.36
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
MMP8 P22894 3/20 0.36
MMP13 P45452 3/20 0.36
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
CRHBP P24387 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
SCHEMBL19754003 0.85 NR1H2 (0.34)
SCHEMBL19742697 0.85 CYP1A2 (0.36) MAPTALDH1A1LMNAPOLBMEN1
SCHEMBL19753991 0.84 ALOX5 (0.39) ALOX5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19753983 0.81 ALOX5 (0.38) ALOX5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19742631 0.80 ALOX5 (0.38) ALOX5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19753977 0.76 NQO2 (0.45) ALOX5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4093183 0.75 MAPT (0.45) ALOX5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19753999 0.75 ALOX5 (0.42) ALOX5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19753984 0.74 ALOX5 (0.41) ALOX5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6679370 0.74 MAPT (0.52) ALOX5MAPTNPC1RAB9ASMN1; SMN2

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 6 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
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 ALOX5 4215/4885MAPT 543/4885NPC1 4261/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 ALOX5 4215/4885MAPT 543/4885NPC1 4261/4885

“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.