SCHEMBL1126468

SCHEMBL1126468

Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc(N3CCN(CC(C)C)CC3)cc2F)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
MAPT P10636 4/20 0.38
ASAH1 Q13510 1/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
KDR P35968 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
SLC6A4 P31645 2/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
REV1 Q9UBZ9 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
DRD4 P21917 3/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL1126928 0.89 MAPT (0.39) TSHRMAPTASAH1HTR2AHTR2C
SCHEMBL1127002 0.88 AR (0.40) TSHRMAPTFGFR1FGFR2KDR
SCHEMBL1126560 0.88 SIGMAR1 (0.40) TSHRMAPTFGFR1FGFR2KDR
SCHEMBL1126750 0.86 GAA (0.37) MAPTNPSR1ALDH1A1RAB9AKDM4E
SCHEMBL1992161 0.85 MAPT (0.44) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL1126788 0.84 KDM4E (0.46) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL30234914 0.83 POLB (0.45) TSHRMAPTLMNAHPGDNPSR1
SCHEMBL1127042 0.83 POLB (0.45) TSHRMAPTLMNAHPGDNPSR1
SCHEMBL1994130 0.82 MAPT (0.39) TSHRMAPTASAH1FGFR1FGFR2
SCHEMBL1126883 0.78 SIGMAR1 (0.38) MAPTHTR2AHTR2CSLC6A4DRD4

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 TSHR 1769/4885MAPT 1696/4885ASAH1 900/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 TSHR 1769/4885MAPT 1696/4885ASAH1 900/4885

“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.