SCHEMBL17258684

SCHEMBL17258684

CN(c1cccc(CNC(=O)Oc2ccc([N+](=O)[O-])cc2)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
FFAR1 O14842 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 4/20 0.45
NR3C1 P04150 1/20 0.45
MGLL Q99685 2/20 0.44
GLA P06280 1/20 0.44
PKM P14618 1/20 0.43
MCHR1 Q99705 1/20 0.43
ADAMTS4 O75173 1/20 0.43

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
SCHEMBL17259011 0.88 MGLL (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2FFAR1
SCHEMBL17258940 0.87 MGLL (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2FFAR1
SCHEMBL599832 0.79 CYP2C9 (0.67) KMT2AMEN1FFAR1CYP2C9CYP2C19
SCHEMBL15231555 0.78 CYP2C9 (0.55) KMT2AMEN1HTTCYP2C9CYP2C19
SCHEMBL16139291 0.77 MGLL (0.55) KMT2AMEN1ALDH1A1FFAR1CYP2C9
SCHEMBL30062604 0.76 MEN1 (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL17078809 0.76 MEN1 (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL3275588 0.76 ACKR3 (0.59) KMT2AMEN1ALDH1A1HTTFFAR1
SCHEMBL1196240 0.75 MGLL (0.53) KMT2AMEN1LMNAFFAR1CYP2C9
SCHEMBL17078698 0.75 MGLL (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10022376-B2 Pyrazolopyridines and pyrazolopyrimidines PFIZER INC. (US) 2018-07-17 US disclosed
US-20170071946-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER INC. (US) 2017-03-16 US disclosed
US-9518052-B2 Pyrazolopyridines and pyrazolopyrimidines PFIZER INC. (US) 2016-12-13 US disclosed
US-20150329542-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER INC. 2015-11-19 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 (3 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-10022376-B2 Pyrazolopyridines and pyrazolopyrimidines CBR3, HRH4, REN KMT2A 3019/4885MEN1 2401/4885ALDH1A1 2993/4885
US-20150329542-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES HRH2, HRH4, HRH1 KMT2A 3621/4885MEN1 1679/4885ALDH1A1 3745/4885
US-20170071946-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES HRH2, HRH4, HRH1 KMT2A 3621/4885MEN1 1679/4885ALDH1A1 3745/4885

“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.