SCHEMBL1126560

SCHEMBL1126560

C=C(C)CN1CCN(c2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc(C)n3C)c(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.40
TMEM97 Q5BJF2 5/20 0.40
HRH1 P35367 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MAPT P10636 2/20 0.40
ADRB1 P08588 1/20 0.40
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
KDR P35968 1/20 0.39
HTR2C P28335 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
HRH2 P25021 1/20 0.39
HTR1E P28566 1/20 0.39
DRD3 P35462 1/20 0.39
TSHR P16473 2/20 0.39
REV1 Q9UBZ9 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL1126883 0.89 SIGMAR1 (0.38) SIGMAR1TMEM97HRH1HRH3MAPT
SCHEMBL1127002 0.88 AR (0.40) MAPTFGFR1FGFR2KDRHTR2C
SCHEMBL1126468 0.88 TSHR (0.39) MAPTFGFR1FGFR2KDRHTR2C
SCHEMBL1126750 0.86 GAA (0.37) MAPTNPSR1RAB9AUSP2ALDH1A1
SCHEMBL1992161 0.85 MAPT (0.44) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL30234914 0.83 POLB (0.45) MAPTDRD3TSHRMEN1KMT2A
SCHEMBL1127042 0.83 POLB (0.45) MAPTDRD3TSHRMEN1KMT2A
SCHEMBL1126928 0.78 MAPT (0.39) MAPTHTR2CDRD3TSHRHTR2A
SCHEMBL1126921 0.78 MAPT (0.37) SIGMAR1TMEM97MAPTFGFR1FGFR2
SCHEMBL1989043 0.76 MAPT (0.38) MAPTATMUSP2

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 13 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
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 SIGMAR1 2635/4885TMEM97 4669/4885HRH1 984/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 SIGMAR1 2635/4885TMEM97 4669/4885HRH1 984/4885

“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.