SCHEMBL1127550

SCHEMBL1127550

COCCn1c(C)cc(C(C)C)c1C(=O)C(=O)Nc1ccc(N2CCN(c3cc(C)cc(C)n3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
GFER P55789 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
USP2 O75604 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 5/20 0.35
F10 P00742 1/20 0.34
KDM4E B2RXH2 2/20 0.34
PTK2B Q14289 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ESR2 Q92731 1/20 0.34
RGS12 O14924 1/20 0.34
PHGDH O43175 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1126437 0.87 TSHR (0.37) TSHRGFERTRPV1NPC1RAB9A
SCHEMBL1993791 0.86 TRPV1 (0.38) TSHRTRPV1NPC1RAB9AUSP2
SCHEMBL1126471 0.86 LMNA (0.38) TSHRNPC1RAB9AUSP2ALDH1A1
SCHEMBL1987514 0.84 NPY2R (0.38) TSHRNPC1RAB9AUSP2ALDH1A1
SCHEMBL1993424 0.84 SLC2A1 (0.37) TSHRNPC1RAB9AUSP2SMN1; SMN2
SCHEMBL1993703 0.81 LMNA (0.37) TSHRNPC1RAB9AUSP2SMN1; SMN2
SCHEMBL1127950 0.81 MAPT (0.35) TSHRGFERTRPV1NPC1RAB9A
SCHEMBL1996170 0.81 KMT2A (0.37) TSHRNPC1RAB9AUSP2SMN1; SMN2
SCHEMBL1127036 0.81 LMNA (0.37) TSHRNPC1RAB9AUSP2SMN1; SMN2
SCHEMBL1991517 0.79 MAPT (0.38) TSHRNPC1RAB9AUSP2ALDH1A1

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
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

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 1780/4885TRPV1 3569/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 TSHR 1769/4885GFER 1780/4885TRPV1 3569/4885

“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.