SCHEMBL19742597

SCHEMBL19742597

C[S+]([O-])Cc1cc(N)ccc1CCNC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.33
MTNR1B P49286 7/20 0.33
NQO2 P16083 3/20 0.33
HSP90AA1 P07900 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
ESRRG P62508 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
TNF P01375 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSPD1 P10809 1/20 0.31
THRB P10828 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL30279896 1.00 MTNR1A (0.33) MTNR1AMTNR1BNQO2HSP90AA1KDM4E
SCHEMBL19753976 0.83 NQO2 (0.45) NQO2KDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL19742720 0.81 NQO2 (0.47) NQO2SMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL19742806 0.80 MAPK1 (0.36) MTNR1AMTNR1BKDM4EALDH1A1MEN1
SCHEMBL19742573 0.79 LMNA (0.33) MTNR1AMTNR1BALDH1A1CYP2C19TSHR
SCHEMBL11290858 0.78 TAAR1 (0.41) NQO2KDM4EHSD17B10SMN1; SMN2ESRRG
SCHEMBL19742662 0.78 MTNR1A (0.38) MTNR1AMTNR1BNQO2HSP90AA1KDM4E
SCHEMBL28290486 0.76 LMNA (0.34) HSP90AA1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL19742565 0.75 MTNR1A (0.31) MTNR1AMTNR1B
SCHEMBL1028248 0.74 MAPT (0.35) MTNR1AMTNR1BNQO2KDM4EHSD17B10

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
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
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 MTNR1A 850/4885MTNR1B 891/4885NQO2 727/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 MTNR1A 850/4885MTNR1B 891/4885NQO2 727/4885

“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.