SCHEMBL16156643

SCHEMBL16156643

Cc1cc(F)c([N+](=O)[O-])cc1-c1c(C)noc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.46
BRD4 O60885 8/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
PABPC1 P11940 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
VCAM1 P19320 1/20 0.36
ESPL1 Q14674 1/20 0.35
ATM Q13315 1/20 0.35
BRD2 P25440 3/20 0.35
BRD3 Q15059 2/20 0.35
AR P10275 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL19422771 0.84 BRD4 (0.45) ERN1BRD4BRD2BRD3
SCHEMBL18947830 0.81 ERN1 (0.44) ERN1BRD4TDP1MAPTNPC1
SCHEMBL18947829 0.79 ERN1 (0.43) ERN1BRD4BRD2BRD3
SCHEMBL17045552 0.79 ERN1 (0.43) ERN1BRD4TDP1ALDH1A1NPC1
SCHEMBL29582418 0.78 ERN1 (0.55) ERN1BRD4LMNAMAPTALDH1A1
SCHEMBL16156525 0.78 ERN1 (0.55) ERN1BRD4LMNAMAPTALDH1A1
SCHEMBL17045549 0.76 ERN1 (0.43) ERN1BRD4TDP1LMNAMAPT
SCHEMBL11980664 0.75 ERN1 (0.47) ERN1BRD4BRD2BRD3
SCHEMBL11980661 0.75 ERN1 (0.40) ERN1BRD4BRD2BRD3
SCHEMBL18258249 0.75 ALDH1A1 (0.44) ERN1BRD4TDP1LMNAMAPT

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-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-08-27 US disclosed
EP-2970312-B1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2017-11-15 EP disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
WO-2014164596-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-10-09 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 (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-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same BRD4, BRDT, BRD3 ERN1 1700/4885BRD4 1/4885TDP1 546/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 ERN1 1700/4885BRD4 1/4885TDP1 546/4885

“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.