SCHEMBL1127160

SCHEMBL1127160

O=C(Nc1ccc(Br)cc1)C(=O)c1cccn1-c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.42
MEN1 O00255 7/20 0.42
MAPT P10636 9/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
POLB P06746 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MAPK1 P28482 2/20 0.40
PKM P14618 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4540125 0.77 ALDH1A1 (0.49) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL15051320 0.71 ALDH1A1 (0.45) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL15051322 0.71 ALDH1A1 (0.45) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL2471403 0.70 PDE7A (0.48) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL15051234 0.70 ALDH1A1 (0.44) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL3686179 0.68 ALDH1A1 (0.59) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL1126417 0.67 L3MBTL1 (0.81) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL3643249 0.66 ALDH1A1 (0.52) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL29271622 0.66 SMN1; SMN2 (0.46) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL10913298 0.64 HSD17B10 (0.56) KMT2AMEN1MAPTSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP claimed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US claimed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP claimed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO claimed
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 KMT2A 3996/4885MEN1 77/4885MAPT 1696/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 KMT2A 3996/4885MEN1 77/4885MAPT 1696/4885

“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.