SCHEMBL1992813

SCHEMBL1992813

Cc1cc(C)nc(N2CCN(c3ccc(NC(=O)C(=O)c4cc(-c5ccccc5)cn4CCN(C)C)cc3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
RGS12 O14924 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 4/20 0.37
KDM4E B2RXH2 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NAMPT P43490 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DNM1L O00429 2/20 0.36
CASR P41180 1/20 0.36
SLC2A1 P11166 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
SCHEMBL1127022 0.87 MAPT (0.42) MAPTHSD17B10GAAALDH1A1POLB
SCHEMBL1126557 0.86 LMNA (0.39) MAPTHSD17B10GAAALDH1A1POLB
SCHEMBL1126900 0.85 PIK3CA (0.37) MAPTHSD17B10GAAALDH1A1POLB
SCHEMBL1991779 0.82 MAPT (0.37) MAPTHSD17B10GAAALDH1A1POLB
SCHEMBL1127165 0.81 MALT1 (0.41) MAPTGAAALDH1A1RGS12SMN1; SMN2
SCHEMBL1126488 0.79 MAPT (0.37) MAPTGAARGS12SMN1; SMN2LMNA
SCHEMBL1126561 0.77 MAPT (0.41) MAPTHSD17B10GAAALDH1A1POLB
SCHEMBL1127284 0.76 MAPT (0.42) MAPTHSD17B10GAAALDH1A1POLB
SCHEMBL30234731 0.76 MAPT (0.42) MAPTHSD17B10GAAALDH1A1POLB
SCHEMBL1126416 0.76 MAPT (0.39) MAPTHSD17B10GAAALDH1A1POLB

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 12 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
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP 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

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 MAPT 1696/4885HSD17B10 2503/4885GAA 554/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885HSD17B10 2503/4885GAA 554/4885

“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.