SCHEMBL1019935

SCHEMBL1019935

Cc1cc(C)nc(N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.64
MAPT P10636 6/20 0.61
GAA P10253 2/20 0.61
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 10/20 0.54
LMNA P02545 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
ACHE P22303 1/20 0.49
RECQL P46063 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL943580 0.89 MEN1 (0.60) PHGDHMAPTGAAMEN1KMT2A
SCHEMBL942657 0.87 PHGDH (0.53) PHGDHMAPTGAAMEN1KMT2A
SCHEMBL943005 0.84 PHGDH (0.50) PHGDHMAPTGAAMEN1KMT2A
SCHEMBL942805 0.82 SIRT6 (0.56) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL944124 0.82 PHGDH (0.46) PHGDHMAPTGAAMEN1KMT2A
SCHEMBL1991994 0.81 PHGDH (0.48) PHGDHMAPTGAAMEN1KMT2A
SCHEMBL942632 0.81 PHGDH (0.48) PHGDHMAPTGAAMEN1KMT2A
SCHEMBL1991990 0.81 PHGDH (0.48) PHGDHMAPTGAAMEN1KMT2A
SCHEMBL943495 0.79 LMNA (0.58) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL943333 0.78 MAPT (0.56) PHGDHMAPTGAAMEN1KMT2A

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
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
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
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-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO 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 (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 PHGDH 1908/4885MAPT 1696/4885GAA 554/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 PHGDH 1908/4885MAPT 1696/4885GAA 554/4885

“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.