SCHEMBL1126875

SCHEMBL1126875

Cc1cc(-c2ccccc2)cn1CC(=O)OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.50
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 1/20 0.44
AGTR1 P30556 1/20 0.43
MCL1 Q07820 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL1126880 0.84 CNR2 (0.48) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL1126957 0.82 ALDH1A1 (0.50) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL1126839 0.80 ALDH1A1 (0.46) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL1127357 0.74 BRD4 (0.37) MAPTPDCD1CD274ALDH1A1
SCHEMBL19500099 0.73 PSMB5 (0.52) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL1126926 0.71 SLC18A3 (0.43) TSHRALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1126585 0.71 BRD4 (0.42) KMT2AMAPTTSHRALDH1A1
SCHEMBL1126694 0.70 BRD4 (0.42) ALDH1A1PTGS1
SCHEMBL1126676 0.70 BRD4 (0.39) MAPTALDH1A1PTGS1
SCHEMBL1990353 0.70 MEN1 (0.44) MEN1KMT2AMAPTTSHRALDH1A1

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 MEN1 77/4885KMT2A 3996/4885MAPT 1696/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MEN1 77/4885KMT2A 3996/4885MAPT 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.