SCHEMBL1126441

SCHEMBL1126441

COC(=O)Cn1ccc(CC(C)C)c1C(=O)C(=O)Nc1ccc(N2CCN(c3cc(C)cc(C)n3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
RGS12 O14924 1/20 0.35
MAPT P10636 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 2/20 0.34
PTK2B Q14289 1/20 0.34
ESR2 Q92731 1/20 0.34
PHGDH O43175 1/20 0.34
GAA P10253 3/20 0.33
RECQL P46063 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DRD4 P21917 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33

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
SCHEMBL1127950 0.90 MAPT (0.35) TSHRGFERSMN1; SMN2RGS12MAPT
SCHEMBL1126589 0.84 LMNA (0.39) TSHRGFERSMN1; SMN2RGS12MAPT
SCHEMBL1126771 0.83 GFER (0.37) TSHRGFERSMN1; SMN2RGS12MAPT
SCHEMBL1126854 0.82 GFER (0.39) TSHRGFERSMN1; SMN2RGS12MAPT
SCHEMBL1127551 0.82 NPC1 (0.37) TSHRGFERSMN1; SMN2RGS12MAPT
SCHEMBL1127064 0.79 TSHR (0.32) TSHRGFERSMN1; SMN2RGS12
SCHEMBL1126437 0.78 TSHR (0.37) TSHRGFERSMN1; SMN2RGS12MAPT
SCHEMBL1987403 0.78 ALDH1A1 (0.40) TSHRMAPTNPSR1KDM4EUSP2
SCHEMBL1126557 0.77 LMNA (0.39) TSHRGFERSMN1; SMN2RGS12MAPT
SCHEMBL1126563 0.77 LMNA (0.39) TSHRGFERSMN1; SMN2RGS12MAPT

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 14 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
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 TSHR 1769/4885GFER 1780/4885SMN1; SMN2 2831/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 TSHR 1769/4885GFER 1780/4885SMN1; SMN2 2831/4885

“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.