SCHEMBL3000565

SCHEMBL3000565

CC(=O)N(c1ccc(F)cc1)c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
HCAR3 P49019 3/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
S100A4 P26447 2/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TTR P02766 1/20 0.36
MAPK1 P28482 2/20 0.36
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
PKM P14618 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL14158008 0.76 TSHR (0.39) TSHRKDM4EL3MBTL1S100A4MTNR1A
SCHEMBL11387849 0.75 RAB9A (0.42) HCAR3KDM4EALDH1A1S100A4MAPT
SCHEMBL27490657 0.75 HCAR3 (0.43) HCAR3KDM4EALDH1A1S100A4MAPT
SCHEMBL31054063 0.74 MEN1 (0.53) TSHRL3MBTL1MAPTMEN1KMT2A
SCHEMBL9545834 0.73 HCAR3 (0.35) HCAR3KDM4EALDH1A1S100A4MAPT
SCHEMBL30018445 0.71 ALDH1A1 (0.58) HCAR3KDM4EL3MBTL1ALDH1A1S100A4
SCHEMBL6506822 0.71 ALDH1A1 (0.58) HCAR3KDM4EL3MBTL1ALDH1A1S100A4
SCHEMBL4633234 0.70 TSHR (0.56) TSHRS100A4MAPTMEN1KMT2A
SCHEMBL6512614 0.70 TDP1 (0.45) HCAR3KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL7909935 0.69 MEN1 (0.52) TSHRKDM4EALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658637-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-25 US disclosed
US-8658637-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-25 US disclosed
US-20100197678-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-20100197678-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
CN-101547909-A Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM INT (DE) 2009-09-30 CN disclosed
EP-2102170-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2009-09-23 EP disclosed
WO-2008070507-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-12 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 (1 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-20100197678-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, NR3C2, MC2R TSHR 454/4885HCAR3 190/4885KDM4E 2741/4885

“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.