SCHEMBL1126854

SCHEMBL1126854

COC(=O)Cn1cccc1C(=O)C(=O)Nc1ccc(N2CCN(c3cc(C)cc(C)n3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
RGS12 O14924 1/20 0.38
TSHR P16473 1/20 0.37
MAPT P10636 5/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
PKM P14618 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
USP2 O75604 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 2/20 0.37
PTK2B Q14289 1/20 0.37
ESR2 Q92731 1/20 0.37
PHGDH O43175 1/20 0.36
DRD4 P21917 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36

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
SCHEMBL1126557 0.86 LMNA (0.39) GFERSMN1; SMN2RGS12TSHRMAPT
SCHEMBL1126589 0.83 LMNA (0.39) GFERSMN1; SMN2RGS12TSHRMAPT
SCHEMBL1126056 0.82 LMNA (0.42) GFERSMN1; SMN2TSHRMAPTNPC1
SCHEMBL1126441 0.82 TSHR (0.38) GFERSMN1; SMN2RGS12TSHRMAPT
SCHEMBL1126771 0.81 GFER (0.37) GFERSMN1; SMN2RGS12TSHRMAPT
SCHEMBL4444883 0.81 ALDH1A1 (0.46) GFERSMN1; SMN2TSHRMAPTNPC1
SCHEMBL1127551 0.81 NPC1 (0.37) GFERSMN1; SMN2RGS12TSHRMAPT
SCHEMBL1126825 0.78 LMNA (0.39) GFERTSHRMAPTUSP2KDM4E
SCHEMBL1987403 0.77 ALDH1A1 (0.40) TSHRMAPTUSP2NPSR1KDM4E
SCHEMBL1126361 0.76 MAPT (0.41) GFERSMN1; SMN2TSHRMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US claimed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US claimed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US claimed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP claimed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US claimed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP claimed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO claimed
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 GFER 1780/4885SMN1; SMN2 2831/4885RGS12 3459/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 GFER 1780/4885SMN1; SMN2 2831/4885RGS12 3459/4885

“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.