SCHEMBL1126997

SCHEMBL1126997

COc1cccc([N+](=O)[O-])c1CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
TDP1 Q9NUW8 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.51
TSHR P16473 1/20 0.47
AR P10275 1/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 2/20 0.45
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL1126993 1.00 ALDH1A1 (0.57) ALDH1A1TDP1L3MBTL1TSHRAR
SCHEMBL8575821 0.89 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1TSHRAR
SCHEMBL945131 0.84 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1TSHRAR
SCHEMBL7995962 0.84 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1TSHRAR
SCHEMBL29391169 0.84 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1TSHRAR
SCHEMBL6775823 0.83 ALDH1A1 (0.49) ALDH1A1TDP1L3MBTL1TSHRLMNA
SCHEMBL8683168 0.83 CA12 (0.55) ALDH1A1TDP1TSHRLMNASMN1; SMN2
SCHEMBL3535123 0.83 GPR35 (0.54) ALDH1A1TDP1L3MBTL1TSHRKMT2A
SCHEMBL8579967 0.83 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1TSHRAR
SCHEMBL1126722 0.82 ALDH1A1 (0.62) ALDH1A1TDP1L3MBTL1ARKMT2A

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 ALDH1A1 219/4885TDP1 903/4885L3MBTL1 1045/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885TDP1 903/4885L3MBTL1 1045/4885

“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.