SCHEMBL943580

SCHEMBL943580

Cc1cc(C)nc(N2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
PHGDH O43175 1/20 0.52
GAA P10253 3/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.45
WDR5 P61964 1/20 0.44
ALDH1A1 P00352 3/20 0.44
THRB P10828 1/20 0.44
RAB9A P51151 2/20 0.44
PAX8 Q06710 2/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
CASP1 P29466 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42

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
SCHEMBL1019935 0.89 PHGDH (0.64) MEN1KMT2APHGDHGAAMAPT
SCHEMBL942657 0.88 PHGDH (0.53) MEN1KMT2APHGDHGAAMAPT
SCHEMBL943005 0.85 PHGDH (0.50) MEN1KMT2APHGDHGAAMAPT
SCHEMBL942805 0.83 SIRT6 (0.56) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL944124 0.83 PHGDH (0.46) MEN1KMT2APHGDHGAAMAPT
SCHEMBL1991990 0.82 PHGDH (0.48) MEN1KMT2APHGDHGAAMAPT
SCHEMBL942632 0.82 PHGDH (0.48) MEN1KMT2APHGDHGAAMAPT
SCHEMBL1991994 0.82 PHGDH (0.48) MEN1KMT2APHGDHGAAMAPT
SCHEMBL943495 0.80 LMNA (0.58) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL7049102 0.80 GAA (0.60) MEN1KMT2AGAAMAPTPOLB

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 15 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-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 EP disclosed
US-8524705-B2 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydro-indolizin-3-yl)-acetamide derivatives and related compounds as antifungal agents F2G LIMITED BRITISH BODY CORPORATE (GB) 2013-09-03 US disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
CN-101743246-B 2-oxo-2- (2-phenyl-5,6,7,8-tetrahydro-indolizin-3-yl) -acetamide derivatives and related compounds as antifungal agents F2G LTD 2013-07-17 CN disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
US-20110009390-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LIMITED (GB) 2011-01-13 US disclosed
EP-2173749-B1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LTD (GB) 2011-01-12 EP disclosed
CN-101743246-A 2-oxo-2- (2-phenyl-5,6,7,8-tetrahydro-indolizin-3-yl) -acetamide derivatives and related compounds as antifungal agents F2G LTD 2010-06-16 CN disclosed
EP-2173749-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G Limited (GB) 2010-04-14 EP disclosed
WO-2008145963-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LIMITED (GB) 2008-12-04 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 (3 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 MEN1 77/4885KMT2A 3996/4885PHGDH 1908/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MEN1 77/4885KMT2A 3996/4885PHGDH 1908/4885
US-20110009390-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS NAT1, FOXM1, CYP51A1 MEN1 146/4885KMT2A 1776/4885PHGDH 2476/4885

“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.