SCHEMBL1748814

SCHEMBL1748814

CCOC(=O)c1c(-c2ccccc2)c(C)cn1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
GAA P10253 4/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 3/20 0.51
LMNA P02545 3/20 0.51
KDM4E B2RXH2 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TSHR P16473 2/20 0.49
CYP1A2 P05177 4/20 0.48
CYP2C9 P11712 4/20 0.48
CYP2C19 P33261 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
GRM6 O15303 1/20 0.46

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
SCHEMBL16830986 0.86 GABRA2 (0.48) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1081579 0.81 GRIA4 (0.47) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8288366 0.80 KDM4E (0.53) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL3825512 0.79 TSHR (0.45) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL1030204 0.77 ALOX5 (0.43) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL20567847 0.77 TSHR (0.56) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL9592009 0.77 ALDH1A1 (0.46) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL7008527 0.77 BAZ2B (0.45) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL21484965 0.77 TSHR (0.55) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL1992572 0.76 GRIA4 (0.40) ALDH1A1GAASMN1; SMN2LMNAKDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11413272-B2 Inhibitors of metallo-beta-lactamases OXFORD UNIVERSITY INNOVATION LIMITED 2022-08-16 US disclosed
EP-3630728-B1 INHIBITORS OF METALLO-BETA-LACTAMASES UNIV OXFORD INNOVATION LTD (GB) 2022-07-27 EP disclosed
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
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
CN-101500994-B 1,3-disubstituted 4-methyl-1h-pyrrole-2-carboxamides and their use for the manufacture of medicaments GRUENENTHAL GMBH 2012-12-12 CN disclosed
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
CN-101500994-A 1,3-disubstituted 4-methyl-1h-pyrrole-2-carboxamides and their use for the manufacture of medicaments GRUENENTHAL CHEMIE (DE) 2009-08-05 CN disclosed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 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 (5 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-11413272-B2 Inhibitors of metallo-beta-lactamases MGAM, GAA, ALPI ALDH1A1 210/4885GAA 2/4885MAPT 2741/4885
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI ALDH1A1 210/4885GAA 2/4885MAPT 2741/4885
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885GAA 554/4885MAPT 1696/4885
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 ALDH1A1 2168/4885GAA 4161/4885MAPT 1404/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885GAA 554/4885MAPT 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.