SCHEMBL838069

SCHEMBL838069

O=C(Cc1ccc(Cl)cc1Cl)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
GALR3 O60755 1/20 0.53
NR2F2 P24468 1/20 0.53
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
USP2 O75604 1/20 0.49
PLOD2 O00469 1/20 0.49
P2RX7 Q99572 2/20 0.48
MAPT P10636 2/20 0.48
KCNMA1 Q12791 1/20 0.48
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL838608 0.84 PLOD2 (0.57) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL11099262 0.84 P2RX7 (0.51) LMNAGALR3NR2F2KMT2AP2RX7
SCHEMBL836320 0.82 L3MBTL1 (0.62) ALDH1A1GALR3NR2F2MEN1KMT2A
SCHEMBL5318479 0.82 MAPT (0.57) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL27997536 0.80 L3MBTL1 (0.71) ALDH1A1LMNAKDM4EPKMMEN1
SCHEMBL11825208 0.79 TSHR (0.62) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL11823899 0.78 NPC1 (0.65) ALDH1A1LMNAKDM4EPKMMEN1
SCHEMBL2847244 0.78 MAPT (0.55) LMNARAB9ANPC1MAPTL3MBTL1
SCHEMBL31692743 0.77 PLOD2 (0.49) ALDH1A1LMNAKDM4EPKMMEN1
SCHEMBL11096668 0.77 GALR3 (0.53) GALR3NR2F2KDM4EMEN1KMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0062238-B1 1,3-DIOXOLANE DERIVATIVES, THEIR PREPARATION, FUNGICIDAL AGENTS CONTAINING THOSE COMPOUNDS AS ACTIVE AGENTS AND USE OF SUCH COMPOUNDS OR AGENTS IN COMBATING FUNGI IN AGRICULTURE AND IN GARDENING F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-01-30 EP claimed
EP-0062238-A1 1,3-Dioxolane derivatives, their preparation, fungicidal agents containing those compounds as active agents and use of such compounds or agents in combating fungi in agriculture and in gardening F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-10-13 EP claimed
US-8883786-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2014-11-11 US disclosed
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 US disclosed
US-8143280-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US disclosed
EP-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 EP disclosed
EP-2205562-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US disclosed
WO-2009040288-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 WO disclosed
EP-0385267-A2 Pyridine derivatives, their preparation and their use as fungicides CIBA-GEIGY AG (CH) 1990-09-05 EP disclosed
EP-0129507-B1 MICROBICIDES CIBA-GEIGY AG (CH) 1989-02-01 EP disclosed
EP-0209854-A2 Pyridine derivatives and their use as fungicidal agents F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-01-28 EP disclosed
EP-0074018-B1 PYRIDINE AND PYRAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THESE COMPOUNDS, FUNGICIDES CONTAINING THESE COMPOUNDS AS ACTIVE SUBSTANCES, USE OF THESE COMPOUNDS OR FUNGICIDES TO COMBAT FUNGI IN AGRICULTURE AND IN HORTICULTURE, AND KETONES AND FUNGICIDES CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-09-24 EP disclosed
US-4556661-A FUNGICIDES HOFFMANN-LA ROCHE INC. (US) 1985-12-03 US disclosed
EP-0062238-B1 1,3-DIOXOLANE DERIVATIVES, THEIR PREPARATION, FUNGICIDAL AGENTS CONTAINING THOSE COMPOUNDS AS ACTIVE AGENTS AND USE OF SUCH COMPOUNDS OR AGENTS IN COMBATING FUNGI IN AGRICULTURE AND IN GARDENING F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-01-30 EP disclosed
EP-0129507-A2 Microbicides CIBA-GEIGY AG (CH) 1984-12-27 EP disclosed
EP-0117485-A2 Pyridine, pyrazine and pyrimidine derivatives and their use as fungicides F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-09-05 EP disclosed
US-4380544-A 1,3-Dioxolane compounds and their use as fungicides HOFFMANN-LA ROCHE INC. (US) 1983-04-19 US disclosed
EP-0074018-A2 Pyridine and pyrazine derivatives, process for the preparation of these compounds, fungicides containing these compounds as active substances, use of these compounds or fungicides to combat fungi in agriculture and in horticulture, and ketones and fungicides containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-03-16 EP disclosed
EP-0062238-A1 1,3-Dioxolane derivatives, their preparation, fungicidal agents containing those compounds as active agents and use of such compounds or agents in combating fungi in agriculture and in gardening F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-10-13 EP 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-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R ALDH1A1 1082/4885LMNA 2031/4885GALR3 193/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R ALDH1A1 1082/4885LMNA 2031/4885GALR3 193/4885

“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.