SCHEMBL19742671

SCHEMBL19742671

C[S+]([O-])Cc1cc([N+](=O)[O-])ccc1OCC1(NC(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TAAR1 Q96RJ0 1/20 0.37
SSTR4 P31391 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35
CYP19A1 P11511 1/20 0.35
LMNA P02545 2/20 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
SCHEMBL19753983 0.87 ALOX5 (0.38) NPBWR1MCHR1ALDH1A1TAAR1RAB9A
SCHEMBL19742793 0.84 SSTR4 (0.37) SSTR4PTGDR2
SCHEMBL28290378 0.81 NPBWR1 (0.36) NPBWR1MCHR1ALDH1A1TAAR1PTGDR2
SCHEMBL19742602 0.78 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL19742711 0.78 RAB9A (0.50) ALDH1A1TAAR1RAB9AMEN1KMT2A
SCHEMBL19742697 0.77 CYP1A2 (0.36) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL19742749 0.77 TBXA2R (0.39) NPBWR1MCHR1ALDH1A1TAAR1PTGDR2
SCHEMBL28288993 0.73 KMT2A (0.41) NPBWR1MCHR1ALDH1A1TAAR1RAB9A
SCHEMBL24225909 0.72 GNRHR (0.41) NPBWR1MCHR1ALDH1A1SSTR4RAB9A
SCHEMBL19742659 0.71 AKR1B1 (0.39) ALDH1A1RAB9AMEN1KMT2AMAPT

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 NPBWR1 3826/4885MCHR1 3921/4885ALDH1A1 4009/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 NPBWR1 3826/4885MCHR1 3921/4885ALDH1A1 4009/4885

“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.