SCHEMBL1126962

SCHEMBL1126962

CCCc1c(C(=O)OCC)c(-c2ccccc2)c(C(=O)OCC)n1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
ALDH1A1 P00352 6/20 0.52
MAPT P10636 6/20 0.52
KDM4E B2RXH2 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
HPGD P15428 4/20 0.52
GAA P10253 4/20 0.52
LMNA P02545 3/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.48
GRM6 O15303 1/20 0.47
DGAT1 O75907 4/20 0.47
SOAT1 P35610 3/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL1127080 0.90 TSHR (0.55) TSHRALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL1991365 0.89 TSHR (0.50) TSHRALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL1127045 0.84 TSHR (0.68) TSHRALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL1994058 0.80 GRIA4 (0.53)
SCHEMBL1126966 0.80 TSHR (0.53) TSHRALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL1127099 0.78 TSHR (0.57) TSHRALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL10463217 0.78 ALDH1A1 (0.49) TSHRALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL21484965 0.77 TSHR (0.55) TSHRALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL1126553 0.76 TSHR (0.55) TSHRALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL1127258 0.76 MAPT (0.48) TSHRALDH1A1MAPTKDM4ESMN1; SMN2

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 9 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
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 TSHR 1769/4885ALDH1A1 219/4885MAPT 1696/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 TSHR 1769/4885ALDH1A1 219/4885MAPT 1696/4885

“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.