SCHEMBL19742720

SCHEMBL19742720

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.47
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 7/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MEN1 O00255 2/20 0.39
RECQL P46063 2/20 0.38
LMNA P02545 2/20 0.38
GLA P06280 1/20 0.38
CDK2 P24941 2/20 0.37

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
SCHEMBL19753977 0.84 NQO2 (0.45) NQO2KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL19742711 0.81 RAB9A (0.50) CYP1A2KMT2AMAPTALDH1A1RAB9A
SCHEMBL19742747 0.81 NQO2 (0.48) NQO2CYP1A2KMT2AMAPTSMN1; SMN2
SCHEMBL19742597 0.81 MTNR1A (0.33) NQO2KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL30279896 0.81 MTNR1A (0.33) NQO2KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL19742726 0.80 ALDH1A1 (0.47) NQO2CYP1A2KMT2AMAPTSMN1; SMN2
SCHEMBL19212050 0.78 POLB (0.48) NQO2CYP1A2KMT2AMAPTSMN1; SMN2
SCHEMBL1026377 0.78 NQO2 (0.46) NQO2CYP1A2KMT2AMAPTSMN1; SMN2
SCHEMBL19212052 0.78 POLB (0.48) NQO2CYP1A2KMT2AMAPTSMN1; SMN2
SCHEMBL28290359 0.77 ALDH1A1 (0.42) NQO2CYP1A2KMT2AMAPTSMN1; 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 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 NQO2 727/4885CYP1A2 3115/4885KMT2A 772/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 NQO2 727/4885CYP1A2 3115/4885KMT2A 772/4885

“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.