SCHEMBL1126689

SCHEMBL1126689

O=[N+]([O-])c1ccc(-c2ncc(CBr)o2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.59
RAB9A P51151 7/20 0.59
NPC1 O15118 6/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
POLB P06746 1/20 0.59
NOTUM Q6P988 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MMP2 P08253 3/20 0.44
MMP9 P14780 3/20 0.44
MMP8 P22894 3/20 0.44
MMP13 P45452 3/20 0.44
LMNA P02545 2/20 0.44
GSK3B P49841 2/20 0.43
XDH P47989 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL27736328 0.83 NPC1 (0.55) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL12489677 0.78 MAPT (0.85) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL1127407 0.77 PTGS2 (0.49) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL1127034 0.76 MAPT (0.60) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL27959430 0.75 CDK1 (0.50) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL4278243 0.75 ALOX15 (0.53) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL12490782 0.75 MAPT (1.00) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL7902911 0.73 RAB9A (0.76) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL27714558 0.72 NPC1 (0.52) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL10911272 0.72 KMT2A (0.74) MAPTRAB9ANPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 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 MAPT 1696/4885RAB9A 729/4885NPC1 491/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885RAB9A 729/4885NPC1 491/4885

“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.