SCHEMBL1990297

SCHEMBL1990297

CCOC(=O)c1cc(-c2ccccc2Cl)c[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
GABRA2 P47869 1/20 0.52
GABRB2 P47870 1/20 0.52
GABRA4 P48169 1/20 0.52
GABRE P78334 1/20 0.52
GABRA6 Q16445 1/20 0.52
GABRG1 Q8N1C3 1/20 0.52
GABRG3 Q99928 1/20 0.52
GABRQ Q9UN88 1/20 0.52
ALOX5 P09917 3/20 0.46
GRM6 O15303 1/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL31114582 0.85 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1126817 0.81 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14800310 0.81 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31114599 0.81 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16111746 0.80 GAA (0.46) MAPTALDH1A1MEN1LMNAGAA
SCHEMBL1126787 0.79 NOTUM (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1990531 0.78 JAK2 (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5924878 0.76 F2RL3 (0.53) GRM6MAPTKDM4EALDH1A1HPGD
SCHEMBL16569767 0.75 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19995990 0.75 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GABRP 3086/4885GABRD 4188/4885GABRA1 2376/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 GABRP 3086/4885GABRD 4188/4885GABRA1 2376/4885

“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.