SCHEMBL1126812

SCHEMBL1126812

Cc1cc(-c2ccccc2)c(C(=O)C(=O)Nc2ccncc2)n1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 6/20 0.44
POLB P06746 2/20 0.44
STAT3 P40763 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
RIPK1 Q13546 1/20 0.42
MAPK1 P28482 1/20 0.42
TYK2 P29597 2/20 0.41
JAK2 O60674 1/20 0.41
CCKBR P32239 1/20 0.40
PKM P14618 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL1126931 0.81 RAB9A (0.46) ALDH1A1SMN1; SMN2POLBPKMKMT2A
SCHEMBL1127228 0.81 FAAH (0.40) ALDH1A1SMN1; SMN2POLBLMNAHTT
SCHEMBL1127545 0.79 RAB9A (0.50) ALDH1A1SMN1; SMN2POLBPKMLMNA
SCHEMBL1126696 0.79 MAPT (0.50) ALDH1A1SMN1; SMN2POLBMAPK1PKM
SCHEMBL1126720 0.79 TNF (0.44) ALDH1A1SMN1; SMN2MAPK1KMT2ALMNA
SCHEMBL1126487 0.78 MAPT (0.51) ALDH1A1SMN1; SMN2POLBMAPK1PKM
SCHEMBL1992485 0.78 ALDH1A1 (0.48) ALDH1A1MAPK1KMT2ALMNAHTT
SCHEMBL30235329 0.78 ALDH1A1 (0.48) ALDH1A1MAPK1KMT2ALMNAHTT
SCHEMBL1644498 0.78 L3MBTL1 (0.62) ALDH1A1SMN1; SMN2POLBSTAT3TAAR1
SCHEMBL1993111 0.77 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2POLBMAPK1JAK2

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 ALDH1A1 219/4885SMN1; SMN2 2831/4885POLB 3827/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885SMN1; SMN2 2831/4885POLB 3827/4885

“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.