SCHEMBL19742697

SCHEMBL19742697

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
AKR1B1 P15121 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 6/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
THRB P10828 1/20 0.35
CYP3A4 P08684 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.34
HSPA9 P38646 1/20 0.34
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL19742500 0.85 ALOX5 (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL19742586 0.83
SCHEMBL19742659 0.82 AKR1B1 (0.39) CYP1A2AKR1B1MAPTALDH1A1KMT2A
SCHEMBL19742509 0.79 KMT2A (0.35) CYP1A2AKR1B1ALDH1A1KMT2ACYP3A4
SCHEMBL29352631 0.79 KMT2A (0.35) CYP1A2AKR1B1ALDH1A1KMT2ACYP3A4
SCHEMBL30279968 0.79 KMT2A (0.35) CYP1A2AKR1B1ALDH1A1KMT2ACYP3A4
SCHEMBL19742727 0.78 TDP1 (0.36) CYP1A2MAPTALDH1A1KMT2AMEN1
SCHEMBL30279937 0.78 TDP1 (0.36) CYP1A2MAPTALDH1A1KMT2AMEN1
SCHEMBL19742671 0.77 NPBWR1 (0.38) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL19742602 0.76 ALDH1A1 (0.39) CYP1A2MAPTALDH1A1KMT2AMEN1

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 CYP1A2 3115/4885AKR1B1 918/4885MAPT 543/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 CYP1A2 3115/4885AKR1B1 918/4885MAPT 543/4885

“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.