SCHEMBL2556912

SCHEMBL2556912

CC(C)c1ccc(NC(=O)C(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
ABCC9 O60706 1/20 0.46
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
KCNJ8 Q15842 1/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
AR P10275 2/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
HCAR3 P49019 2/20 0.43
EPAS1 Q99814 1/20 0.43
MAPK1 P28482 3/20 0.43
MYOC Q99972 1/20 0.43
GLA P06280 2/20 0.42

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
SCHEMBL6303134 0.89 PDK1 (0.47) MEN1KMT2APDK1PDK2PDK3
SCHEMBL978801 0.83 MAPT (0.61) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL976680 0.83 KMT2A (0.56) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL976683 0.83 KMT2A (0.56) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL2884065 0.82 ALDH1A1 (0.59) KMT2APDK1PDK2PDK3PDK4
SCHEMBL14376787 0.80 KCNMA1 (0.58) MEN1KMT2APDK1PDK2PDK3
SCHEMBL27677695 0.80 KCNMA1 (0.53) MEN1KMT2APDK1PDK2PDK3
SCHEMBL979265 0.79 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL12350643 0.79 MAPK1 (0.53) MEN1KMT2APDK1PDK2PDK3
SCHEMBL22262383 0.79 KCNMA1 (0.63) MEN1KMT2AMAPTALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11883387-B2 PqsR inverse agonists Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2024-01-30 US disclosed
US-20210353606-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-11-18 US disclosed
EP-3818045-A1 PQSR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-05-12 EP disclosed
WO-2020007938-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-01-09 WO disclosed
EP-2555623-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2013-02-13 EP disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 WO disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 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 (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-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS MEN1 4701/4885KMT2A 3363/4885PDK1 2552/4885
US-11883387-B2 PqsR inverse agonists QRFPR, P2RY11, QARS1 MEN1 3460/4885KMT2A 3375/4885PDK1 2337/4885
US-20210353606-A1 PqsR INVERSE AGONISTS QRFPR, P2RY11, QARS1 MEN1 3460/4885KMT2A 3375/4885PDK1 2337/4885

“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.