SCHEMBL943333

SCHEMBL943333

Cc1cc(C)nc(N2CCN(c3ccc(N)cc3Cl)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
RAD52 P43351 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 5/20 0.53
POLB P06746 1/20 0.53
HTT P42858 1/20 0.51
GAA P10253 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
PHGDH O43175 5/20 0.46
TDP1 Q9NUW8 1/20 0.45
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
NR4A1 P22736 1/20 0.41
PTK2B Q14289 1/20 0.41
GFER P55789 2/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
GRIN2D O15399 1/20 0.39

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
SCHEMBL943720 0.87 MAPT (0.56) MAPTRAD52KDM4EALDH1A1GAA
SCHEMBL942659 0.85 MAPT (0.40) MAPTRAD52KDM4EALDH1A1GAA
SCHEMBL1646907 0.81 MEN1 (0.46) MAPTKDM4EALDH1A1HTTGAA
SCHEMBL1020766 0.80 MAPT (0.38) MAPTRAD52KDM4EALDH1A1HTT
SCHEMBL943023 0.80 MAPT (0.55) MAPTRAD52KDM4EALDH1A1POLB
SCHEMBL15358686 0.78 ALDH1A1 (0.81) MAPTRAD52KDM4EALDH1A1POLB
SCHEMBL1019935 0.78 PHGDH (0.64) MAPTALDH1A1GAASMN1; SMN2PHGDH
SCHEMBL1645844 0.77 MAPT (0.56) MAPTKDM4EALDH1A1POLBPHGDH
SCHEMBL1019837 0.77 MAPT (0.46) MAPTRAD52KDM4EHTTGAA
SCHEMBL942722 0.76 MAPT (0.51) MAPTRAD52KDM4EALDH1A1POLB

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
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
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
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 MAPT 1696/4885RAD52 4209/4885KDM4E 1706/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885RAD52 4209/4885KDM4E 1706/4885
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 MAPT 2462/4885RAD52 3986/4885KDM4E 2650/4885

“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.