SCHEMBL1989596

SCHEMBL1989596

Cc1cc(C)nc(OCCOc2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc4n3CCOC4)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
EPHX2 P34913 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNA5 P22460 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CHRNA7 P36544 1/20 0.34
KDR P35968 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL1992903 0.92 MAPT (0.37) MAPTLMNAUSP2HSD17B10NPC1
SCHEMBL1991591 0.88 KCNA5 (0.37) MAPTLMNAUSP2ALDH1A1HTT
SCHEMBL945683 0.88 KCNA5 (0.36) MAPTTP53HTTKMT2ASMN1; SMN2
SCHEMBL1994847 0.88 PIK3CA (0.38) MAPTLMNAUSP2HSD17B10NPC1
SCHEMBL1991373 0.82 HCRTR1 (0.39) MAPTLMNANPC1TP53RAB9A
SCHEMBL1990491 0.82 CASR (0.39) MAPTLMNAUSP2HSD17B10NPC1
SCHEMBL1993154 0.81 MAPT (0.43) MAPTLMNAHSD17B10NPC1RAB9A
SCHEMBL1126807 0.80 MAPT (0.37) MAPTLMNAUSP2HSD17B10NPC1
SCHEMBL1993221 0.80 HCRTR1 (0.35) MAPTLMNAALDH1A1HTTKMT2A
SCHEMBL1990147 0.80 MAPT (0.39) MAPTLMNAUSP2HSD17B10NPC1

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 6 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-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 1696/4885LMNA 3641/4885USP2 4525/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885LMNA 3641/4885USP2 4525/4885

“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.