SCHEMBL578792

SCHEMBL578792

CC1(C)OB(c2ccc(OCCOC3CCCCO3)cc2)OC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4C Q9H3R0 1/20 0.41
HIF1A Q16665 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
CHEK1 O14757 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LPL P06858 5/20 0.36
LIPG Q9Y5X9 5/20 0.36
DGAT1 O75907 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HPGD P15428 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
SCHEMBL15904080 0.95 MEN1 (0.56) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL12126603 0.94 MEN1 (0.55) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL15904976 0.92 MEN1 (0.53) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL17313842 0.88 MEN1 (0.52) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL12126611 0.84 MEN1 (0.49) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL10127747 0.82 MEN1 (0.43) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL14656796 0.82 ALDH1A1 (0.39) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL822775 0.82 MEN1 (0.37) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL30776632 0.82 LPL (0.53) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL8265696 0.82 CA1 (0.43) HIF1ACA1CA2CA9LPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3114126-B1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS IDORSIA PHARMACEUTICALS LTD (CH) 2018-10-31 EP disclosed
US-10106544-B2 1,2-dihydro-3H-pyrrolo[1,2-C]imidazol-3-one derivatives and their use as antibacterial agents IDORSIA PHARMACEUTICALS LTD (CH) 2018-10-23 US disclosed
US-20170107223-A1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-20 US disclosed
EP-2418203-B1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO CO LTD (JP) 2013-12-11 EP disclosed
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
EP-2565185-A1 [5,6]HETEROCYCLIC COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-06 EP disclosed
US-20130029964-A1 [5, 6] HETEROCYCLIC COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-31 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 EP disclosed
WO-2010024356-A1 NOVEL HYDROXAMIC ACID DERIVATIVE HAVING NAPHTHYRIDINE-N-OXIDE 大正製薬株式会社 (JP) 2010-03-04 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 (4 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-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP BMP2, BMP4, BMP6 MEN1 2101/4885KMT2A 2350/4885NPC1 583/4885
US-20130029964-A1 [5, 6] HETEROCYCLIC COMPOUND BMP2, BMP4, SOST MEN1 2074/4885KMT2A 1945/4885NPC1 3386/4885
US-10106544-B2 1,2-dihydro-3H-pyrrolo[1,2-C]imidazol-3-one derivatives and their use as antibacterial agents CCNI, H1-0, H1-3 MEN1 1760/4885KMT2A 2962/4885NPC1 1533/4885
US-20170107223-A1 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS CCNI, H1-0, H1-3 MEN1 1760/4885KMT2A 2962/4885NPC1 1533/4885

“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.