SCHEMBL1126635

SCHEMBL1126635

Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccc(-c3ncco3)c(F)c2)n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.38
NTRK1 P04629 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
MAPT P10636 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
AXL P30530 2/20 0.36
LMNA P02545 5/20 0.36
HTT P42858 3/20 0.36
ALDH1A1 P00352 1/20 0.36
IMPDH2 P12268 2/20 0.36
IL2 P60568 1/20 0.35
TP53 P04637 1/20 0.35
FAAH O00519 1/20 0.35
GRM1 Q13255 1/20 0.35
GRM4 Q14833 1/20 0.35
MERTK Q12866 1/20 0.35
IMPDH1 P20839 1/20 0.35
S1PR1 P21453 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
SCHEMBL1127228 0.88 FAAH (0.40) JAK3NTRK1SMN1; SMN2MAPTNPC1
SCHEMBL1988597 0.83 IL2 (0.41) NTRK1SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL1127172 0.76 NPY2R (0.45) SMN1; SMN2MAPTNPC1RAB9APOLB
SCHEMBL1126812 0.75 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9APOLBLMNA
SCHEMBL30234815 0.75 ALDH1A1 (0.43) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL1127213 0.75 NPC1 (0.39) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL1990361 0.75 ALDH1A1 (0.43) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL1126931 0.74 RAB9A (0.46) SMN1; SMN2MAPTNPC1RAB9APOLB
SCHEMBL1127110 0.71 L3MBTL1 (0.46) MAPTRAB9A
SCHEMBL1644368 0.71 SMN1; SMN2 (0.51) JAK3NTRK1SMN1; SMN2MAPTNPC1

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 15 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
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
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 JAK3 1551/4885NTRK1 3806/4885SMN1; SMN2 2831/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 JAK3 1551/4885NTRK1 3806/4885SMN1; 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.